4-{[cyclopropyl(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[cyclopropyl(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
4-{[cyclopropyl(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V014-4652 |
| Compound Name: | 4-{[cyclopropyl(4-methylbenzene-1-sulfonyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 409.52 |
| Molecular Formula: | C19 H23 N O5 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)S(c2ccc(C)cc2)(=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.719 |
| logD: | 3.719 |
| logSw: | -3.8274 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.065 |
| InChI Key: | QZHHOGBSWOGYAB-UHFFFAOYSA-N |