ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C201-1933 |
| Compound Name: | ethyl 2-(2-{[4-(4-methoxyphenyl)-7,8-dimethyl-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H29 N3 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CSC1CC(c2ccc(cc2)OC)=Nc2cc(C)c(C)cc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.878 |
| logD: | 5.8543 |
| logSw: | -5.4804 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.939 |
| InChI Key: | ONLPEVCUZSNQLU-UHFFFAOYSA-N |