ethyl [4-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0940 |
| Compound Name: | ethyl [4-({2-[methyl(phenyl)amino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(N(C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2191 |
| logD: | 3.2191 |
| logSw: | -3.5436 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.448 |
| InChI Key: | CSVBCRAXNMZFRH-UHFFFAOYSA-N |