3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
Compound ID: | V029-4119 |
Compound Name: | 3-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
Molecular Weight: | 438.97 |
Molecular Formula: | C21 H27 Cl N2 O4 S |
Smiles: | CC(C)NC(N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)C(C)C)=O |
Stereo: | ACHIRAL |
logP: | 4.6426 |
logD: | 4.6426 |
logSw: | -4.8096 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.343 |
InChI Key: | YCJPVNUYKDPHJW-UHFFFAOYSA-N |