N-(3,4-dimethylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1471 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{[4-(thiophen-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 419.57 |
| Molecular Formula: | C23 H21 N3 O S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSC1CC(c2cccs2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.499 |
| logD: | 5.4987 |
| logSw: | -5.3805 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.357 |
| InChI Key: | MXSTUGKMEUKYGM-UHFFFAOYSA-N |