2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G681-0751 |
| Compound Name: | 2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(2-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C25 H22 F N3 O2 S |
| Smiles: | COc1ccccc1CNC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6063 |
| logD: | 4.5917 |
| logSw: | -4.4188 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.292 |
| InChI Key: | CKIUSQPTSWLTGU-UHFFFAOYSA-N |