ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-methoxybenzene-1-sulfonyl)amino}-4-methylpentanoate
Chemical Structure Depiction of
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-methoxybenzene-1-sulfonyl)amino}-4-methylpentanoate
ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-methoxybenzene-1-sulfonyl)amino}-4-methylpentanoate
Compound characteristics
| Compound ID: | K783-1227 |
| Compound Name: | ethyl 3-{[(4-chloro-3-nitrophenyl)methyl](4-methoxybenzene-1-sulfonyl)amino}-4-methylpentanoate |
| Molecular Weight: | 498.98 |
| Molecular Formula: | C22 H27 Cl N2 O7 S |
| Smiles: | CCOC(CC(C(C)C)N(Cc1ccc(c(c1)[N+]([O-])=O)[Cl])S(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7767 |
| logD: | 4.7767 |
| logSw: | -4.8341 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 92.384 |
| InChI Key: | MYXITSPPJQAFIO-FQEVSTJZSA-N |