N-benzyl-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-benzyl-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6663 |
| Compound Name: | N-benzyl-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 429.54 |
| Molecular Formula: | C25 H23 N3 O2 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3923 |
| logD: | 4.3776 |
| logSw: | -4.3632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.205 |
| InChI Key: | XEPMOBZFNFNBOU-UHFFFAOYSA-N |