4-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl propane-2-sulfonate
4-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V031-2098 |
| Compound Name: | 4-{[tert-butyl-N-(cyclopropylmethyl)carbamamido]methyl}phenyl propane-2-sulfonate |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C19 H30 N2 O4 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(CC2CC2)C(NC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7352 |
| logD: | 3.7352 |
| logSw: | -3.8471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.972 |
| InChI Key: | NVYBQSKEORXRRD-UHFFFAOYSA-N |