ethyl (4-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0439 |
| Compound Name: | ethyl (4-{[1-(2,3-dihydro-1H-indol-1-yl)-1-oxobutan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CCC(C(N1CCc2ccccc12)=O)SC1C=C(CC(=O)OCC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8878 |
| logD: | 4.8878 |
| logSw: | -4.3635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.285 |
| InChI Key: | NEESELSKKHNGNN-QFIPXVFZSA-N |