3-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1569 |
| Compound Name: | 3-{[(cyclobutanecarbonyl)(cyclopropylmethyl)amino]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 447.98 |
| Molecular Formula: | C23 H26 Cl N O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(C2CCC2)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4598 |
| logD: | 4.4598 |
| logSw: | -4.5189 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.986 |
| InChI Key: | POKPWOAKHYMWNI-UHFFFAOYSA-N |