Capravirine

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Properties Simple | Detailed

Formula C20H20Cl2N4O2S
IUPAC Name [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-1-ium-5-ylium-2-yl]methyl carbamate
Molecular Mass 451.369 g·mol−1
Heat of Formation -142.5 ± 16.7 kJ·mol−1
Dipole Moment 3.49 ± 1.08 D
Volume 510.17 Å 3
Surface Area 418.13 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-imidazole-2-methanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-(4-pyridinylmethyl)-, carbamate (ester)
  • 5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(4-pyridyl)methyl-1h-imidazol-2-ylmethyl carbamate
  • 5-(3,5-dichlorophenyl)thio-4-isopropyl-1-(pyridin-4-yl-methyl)-1h-imidazol-2-yl-methyl carbamate
  • [5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl carbamate
  • [5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-yl-1-(pyridin-4-ylmethyl)imidazol-2-yl]methyl carbamate
  • ag 1549
  • ag-1549
  • ag1549
  • capravirine (usan)
  • carbamic acid [5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)-2-imidazolyl]methyl ester
  • carbamic acid [5-[(3,5-dichlorophenyl)thio]-4-isopropyl-1-(4-pyridylmethyl)imidazol-2-yl]methyl ester
  • cdimi
  • d03371
  • s 1153
  • s-1153
  • s11
CAS Number(s)
  • 253199-04-1
  • 178979-85-6
InChIKey YQXCVAGCMNFUMQ-UHFFFAOYSA-N
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