2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl methanesulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl methanesulfonate
2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl methanesulfonate
Compound characteristics
| Compound ID: | V025-5340 |
| Compound Name: | 2-{[N-(butan-2-yl)(tert-butyl)carbamamido]methyl}-4-chlorophenyl methanesulfonate |
| Molecular Weight: | 390.93 |
| Molecular Formula: | C17 H27 Cl N2 O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(NC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1319 |
| logD: | 4.1318 |
| logSw: | -4.4477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.251 |
| InChI Key: | OHDXPRZIHSDQEM-LBPRGKRZSA-N |