methyl {4-[(1-anilino-1-oxobutan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {4-[(1-anilino-1-oxobutan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
methyl {4-[(1-anilino-1-oxobutan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0215 |
| Compound Name: | methyl {4-[(1-anilino-1-oxobutan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCC(C(Nc1ccccc1)=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1109 |
| logD: | 4.1109 |
| logSw: | -4.1757 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.117 |
| InChI Key: | FILGSGMGMUWYKM-IBGZPJMESA-N |