N-(2-fluoro-5-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-fluoro-5-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-fluoro-5-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6669 |
| Compound Name: | N-(2-fluoro-5-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | Cc1ccc(c(c1)NC(CSC1CC(c2cccc(c2)OC)=Nc2ccccc2N=1)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.9972 |
| logD: | 4.9963 |
| logSw: | -4.6551 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | KHVMAXSJGRKYJN-UHFFFAOYSA-N |