methyl 2-(2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C201-1836 |
| Compound Name: | methyl 2-(2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C24 H20 N4 O3 S |
| Smiles: | COC(c1ccccc1NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3429 |
| logD: | 3.3239 |
| logSw: | -3.8758 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.863 |
| InChI Key: | HPNBNCQOJSPSCM-UHFFFAOYSA-N |