4-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V031-2110 |
| Compound Name: | 4-{[N-(cyclopropylmethyl)(ethyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 354.47 |
| Molecular Formula: | C17 H26 N2 O4 S |
| Smiles: | CCNC(N(CC1CC1)Cc1ccc(cc1)OS(C(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6955 |
| logD: | 2.6955 |
| logSw: | -3.0477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.774 |
| InChI Key: | AGFDNXZYJJRDGD-UHFFFAOYSA-N |