methyl [7,8-dimethyl-4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Chemical Structure Depiction of
methyl [7,8-dimethyl-4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
methyl [7,8-dimethyl-4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate
Compound characteristics
| Compound ID: | F405-0495 |
| Compound Name: | methyl [7,8-dimethyl-4-({2-[3-(methylsulfanyl)anilino]-2-oxoethyl}sulfanyl)-1H-1,5-benzodiazepin-2-yl]acetate |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C23 H25 N3 O3 S2 |
| Smiles: | Cc1cc2c(cc1C)N=C(C=C(CC(=O)OC)N2)SCC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7175 |
| logD: | 4.7174 |
| logSw: | -4.5514 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | ALPWUVMDLTXPFU-UHFFFAOYSA-N |