ethyl {4-[(2-anilino-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-anilino-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(2-anilino-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0675 |
| Compound Name: | ethyl {4-[(2-anilino-2-oxoethyl)sulfanyl]-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 423.53 |
| Molecular Formula: | C23 H25 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2cc(C)c(C)cc2N1)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5175 |
| logD: | 4.5174 |
| logSw: | -4.2441 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | GJPBTXNXGPYIBQ-UHFFFAOYSA-N |