4-chloro-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
4-chloro-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-6597 |
| Compound Name: | 4-chloro-2-{[(2-methoxyphenyl)-N-(2-methylpropyl)carbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 454.97 |
| Molecular Formula: | C21 H27 Cl N2 O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(cc1CN(CC(C)C)C(Nc1ccccc1OC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9525 |
| logD: | 4.9525 |
| logSw: | -4.9037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.398 |
| InChI Key: | ZYWFMBWTSCKINA-UHFFFAOYSA-N |