2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide
Chemical Structure Depiction of
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide
2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide
Compound characteristics
| Compound ID: | G681-0812 |
| Compound Name: | 2-{[4-(4-chlorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-cyclopentylacetamide |
| Molecular Weight: | 411.95 |
| Molecular Formula: | C22 H22 Cl N3 O S |
| Smiles: | C1CCC(C1)NC(CSC1CC(c2ccc(cc2)[Cl])=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 4.6953 |
| logSw: | -5.0564 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.752 |
| InChI Key: | CNJQAVSZIGEITG-UHFFFAOYSA-N |