3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1582 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)(propan-2-yl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 450.98 |
| Molecular Formula: | C22 H27 Cl N2 O4 S |
| Smiles: | CC(C)NC(N(CC1CC1)Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7801 |
| logD: | 4.7801 |
| logSw: | -4.8603 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.851 |
| InChI Key: | ICCXLWPCEORBEL-UHFFFAOYSA-N |