(3R)-3-Benzyl-1-(1H-Imidazol-5-Ylmethyl)-4-(2-Thienylsulfonyl)-2,3,4,5-Tetrahydro-1H-1,4-Benzodiazepine-7-Carbonitrile

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Properties Simple | Detailed

Formula C25H25N5O2S2
IUPAC Name (1r,3r,4r)-3-benzyl-1-(1h-imidazol-5-id-5-ylmethyl)-4-thiophen-1-ium-2-ylsulfonyl-3,5-dihydro-2h-1,4-benzodiazepine-7-carbonitrile
Molecular Mass 491.628 g·mol−1
Heat of Formation 254.7 ± 16.7 kJ·mol−1
Dipole Moment 9.15 ± 1.08 D
Volume 555.76 Å 3
Surface Area 407.02 Å 2
HOMO Energy -8.28 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-1-(3h-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2h-1,4-benzodiazepine-7-carbonitrile
  • (3r)-1-(3h-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-thiophen-2-ylsulfonyl-3,5-dihydro-2h-1,4-benzodiazepine-7-carbonitrile
  • (3r)-3-(benzyl)-1-(3h-imidazol-4-ylmethyl)-4-(2-thienylsulfonyl)-3,5-dihydro-2h-1,4-benzodiazepine-7-carbonitrile
  • 3-benzyl-1-(1h-imidazol-4-ylmethyl)-4-(thien-2-ylsulfonyl)-2,3,4,5-tetrahydro-1h-1,4-benzodiazepine-7-carbonitrile
  • 7-cyano-2,3,4,5-tetrahydro-1-(1h-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1h-1,4-benzodiazepine
  • bms 214662
  • bms-214662
  • bmv
CAS Number(s)
  • 195987-41-8
InChIKey OLCWFLWEHWLBTO-HSZRJFAPSA-N
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