2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L389-0418 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C27 H26 F N3 O2 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1ccc(cc1)F)=N2)SCC(NCc1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.435 |
| logD: | 5.3273 |
| logSw: | -5.4508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.205 |
| InChI Key: | ZRHSXSGRMLJBOR-UHFFFAOYSA-N |