methyl (4-{[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0550 |
| Compound Name: | methyl (4-{[2-(4-bromo-3-methylanilino)-2-oxoethyl]sulfanyl}-7,8-dimethyl-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 502.43 |
| Molecular Formula: | C23 H24 Br N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)N=C(C=C(CC(=O)OC)N2)SCC(Nc1ccc(c(C)c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4311 |
| logD: | 5.431 |
| logSw: | -5.3853 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | CUNRUJKUKKFPIM-UHFFFAOYSA-N |