N-(3-chloro-4-methoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1447 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 455.98 |
| Molecular Formula: | C22 H18 Cl N3 O2 S2 |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1CC(c2cccs2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0222 |
| logD: | 5.0215 |
| logSw: | -5.1578 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.988 |
| InChI Key: | MKNVOWZXJUQBAS-UHFFFAOYSA-N |