Ethyl-[4-({[(2R,4R)-2-(2,4-Dichlorphenyl)-2-(1H-Imidazol-1-Ylmethyl)-1,3-Dioxolan-4-Yl]Methyl}Sulfanyl)Phenyl]Carbamat

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Properties Simple | Detailed

Formula C23H23Cl2N3O4S
IUPAC Name methyl n-[4-[[(2r,4r)-2-(2,4-dichlorophenyl)-2-(4h-imidazol-3-ium-3-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
Molecular Mass 508.417 g·mol−1
Heat of Formation -449.5 ± 16.7 kJ·mol−1
Dipole Moment 1.64 ± 1.08 D
Volume 551.25 Å 3
Surface Area 459.97 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • carbamic acid, (4-((((2r,4r)-2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)phenyl)-, ethyl ester, rel-
  • carbamic acid, (4-(((2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)phenyl)-, ethyl ester, cis-(+-)-
  • ethyl ( -)-cis-p-(((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-p-ylmethylthio)thio)carbanilate
  • ethyl n-[4-[[(2r,4r)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
  • n-[4-[[(2r,4r)-2-(2,4-dichlorophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester
  • n-[4-[[(2r,4r)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylthio]phenyl]carbamic acid ethyl ester
  • r 46846
  • tubulazole
  • tubulozol [spanish]
  • tubulozole (free base)
  • tubulozole c
  • tubulozolum [latin]
CAS Number(s)
  • 84697-22-3
InChIKey OGPIBXIQNMQSPY-JPYJTQIMSA-N
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