methyl 2-(2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G681-0118 |
| Compound Name: | methyl 2-(2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8226 |
| logD: | 4.8041 |
| logSw: | -4.6032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.815 |
| InChI Key: | SWILEEDPYSUSSG-UHFFFAOYSA-N |