2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-6745 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | COc1ccc(CNC(CSC2CC(c3cccc(c3)OC)=Nc3ccccc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3747 |
| logD: | 4.36 |
| logSw: | -4.3704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.749 |
| InChI Key: | AEZRCXCYXYLCGU-UHFFFAOYSA-N |