2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | L389-0175 |
| Compound Name: | 2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-(3-ethylphenyl)acetamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C28 H29 N3 O S |
| Smiles: | CCc1cccc(c1)NC(CSC1CC(c2ccc(C)cc2)=Nc2cc(C)c(C)cc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8412 |
| logD: | 6.8353 |
| logSw: | -5.593 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | XATUTKAMNBDETN-UHFFFAOYSA-N |