ethyl (4-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0432 |
| Compound Name: | ethyl (4-{[1-(3,5-dimethoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C25 H29 N3 O5 S |
| Smiles: | CCC(C(Nc1cc(cc(c1)OC)OC)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8943 |
| logD: | 4.894 |
| logSw: | -4.4891 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.785 |
| InChI Key: | DCIMZEFFNLQKHS-QFIPXVFZSA-N |