2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-6734 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(NCc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6136 |
| logD: | 4.599 |
| logSw: | -4.4135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.835 |
| InChI Key: | VBDQMEKCMKYBEU-UHFFFAOYSA-N |