ethyl (4-{[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0410 |
| Compound Name: | ethyl (4-{[1-(4-methoxyanilino)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CCC(C(Nc1ccc(cc1)OC)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7376 |
| logD: | 4.7376 |
| logSw: | -4.3289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.241 |
| InChI Key: | YLRFGIXDAVCCBZ-NRFANRHFSA-N |