N-(3,4-dimethoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3,4-dimethoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1443 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C23 H21 N3 O3 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CSC1CC(c2cccs2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0465 |
| logD: | 4.0461 |
| logSw: | -4.1657 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.618 |
| InChI Key: | GTQQKTKDCKIFQW-UHFFFAOYSA-N |