4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Chemical Structure Depiction of
4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate
Compound characteristics
Compound ID: | V026-8363 |
Compound Name: | 4-chloro-2-{[N-di(propan-2-yl)carbamamido]methyl}phenyl methanesulfonate |
Molecular Weight: | 362.87 |
Molecular Formula: | C15 H23 Cl N2 O4 S |
Smiles: | CC(C)NC(N(Cc1cc(ccc1OS(C)(=O)=O)[Cl])C(C)C)=O |
Stereo: | ACHIRAL |
logP: | 3.2545 |
logD: | 3.2545 |
logSw: | -3.6836 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.817 |
InChI Key: | OVDKTBBBUIIKTH-UHFFFAOYSA-N |