2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L389-0300 |
| Compound Name: | 2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C28 H29 N3 O2 S |
| Smiles: | Cc1ccc(CNC(CSC2CC(c3ccc(cc3)OC)=Nc3cc(C)c(C)cc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7144 |
| logD: | 5.6067 |
| logSw: | -5.4035 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.205 |
| InChI Key: | KIUWRFYYZJPFIB-UHFFFAOYSA-N |