N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0486 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 492 |
| Molecular Formula: | C26 H22 Cl N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)[Cl])=N2)SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0552 |
| logD: | 6.0493 |
| logSw: | -6.231 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.454 |
| InChI Key: | YLYQUBKBOWLAFA-UHFFFAOYSA-N |