ethyl 4-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | C200-6674 |
| Compound Name: | ethyl 4-(2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(CSC1CC(c2cccc(c2)OC)=Nc2ccccc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3124 |
| logD: | 5.3116 |
| logSw: | -5.283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.636 |
| InChI Key: | QRQJHJBSVKBZDD-UHFFFAOYSA-N |