N-(2,4-difluorophenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2,4-difluorophenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2,4-difluorophenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | L389-0594 |
| Compound Name: | N-(2,4-difluorophenyl)-2-{[4-(3-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C26 H23 F2 N3 O2 S |
| Smiles: | Cc1cc2c(cc1C)N=C(CC(c1cccc(c1)OC)=N2)SCC(Nc1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5796 |
| logD: | 5.5631 |
| logSw: | -5.4798 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | MRSQQNCPCKHFTK-UHFFFAOYSA-N |