methyl 2-(2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 2-(2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
methyl 2-(2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | G681-0499 |
| Compound Name: | methyl 2-(2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | COC(c1ccccc1NC(CSC1CC(c2ccc(cc2)OC)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3816 |
| logD: | 4.3631 |
| logSw: | -4.3432 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.359 |
| InChI Key: | CCYSNFHMUCDQTF-UHFFFAOYSA-N |