ethyl [4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
ethyl [4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
ethyl [4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0270 |
| Compound Name: | ethyl [4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 441.57 |
| Molecular Formula: | C22 H23 N3 O3 S2 |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2384 |
| logD: | 4.2384 |
| logSw: | -4.1926 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | KCVCKJOMVZWLKC-UHFFFAOYSA-N |