4-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
4-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V031-2050 |
| Compound Name: | 4-{[N-(cyclopropylmethyl)-3-methylbutanamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 367.51 |
| Molecular Formula: | C19 H29 N O4 S |
| Smiles: | CC(C)CC(N(CC1CC1)Cc1ccc(cc1)OS(C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6635 |
| logD: | 3.6635 |
| logSw: | -3.7395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.478 |
| InChI Key: | VROMTDQOTSMHQV-UHFFFAOYSA-N |