ethyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0441 |
| Compound Name: | ethyl {4-[(1-anilino-1-oxopropan-2-yl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SC(C)C(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0465 |
| logD: | 4.0465 |
| logSw: | -4.0111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.697 |
| InChI Key: | MSUURTBSRREXNG-HNNXBMFYSA-N |