ethyl (4-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0417 |
| Compound Name: | ethyl (4-{[1-oxo-1-(2,4,6-trimethylanilino)butan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 465.61 |
| Molecular Formula: | C26 H31 N3 O3 S |
| Smiles: | CCC(C(Nc1c(C)cc(C)cc1C)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4591 |
| logD: | 5.4591 |
| logSw: | -5.3524 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.302 |
| InChI Key: | KBILVXAUXQQUOY-QFIPXVFZSA-N |