methyl 2-(2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L389-0373 |
| Compound Name: | methyl 2-(2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H24 F N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)F)=N2)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.381 |
| logD: | 5.3574 |
| logSw: | -5.4054 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.815 |
| InChI Key: | OZLHAHRANUBMGU-UHFFFAOYSA-N |