2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-5136 |
| Compound Name: | 2-{[N-(butan-2-yl)(2-methoxyphenyl)carbamamido]methyl}-4-chlorophenyl ethanesulfonate |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C21 H27 Cl N2 O5 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(CC)(=O)=O)[Cl])C(Nc1ccccc1OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9786 |
| logD: | 4.9785 |
| logSw: | -4.9189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.726 |
| InChI Key: | FXPXXCLMMFSTEK-HNNXBMFYSA-N |