3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V028-1594 |
| Compound Name: | 3-{[N-(cyclopropylmethyl)(2-methoxyphenyl)carbamamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 515.03 |
| Molecular Formula: | C26 H27 Cl N2 O5 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(Nc2ccccc2OC)=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7108 |
| logD: | 5.7108 |
| logSw: | -5.9045 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.216 |
| InChI Key: | IAHQJWJYYHPEBE-UHFFFAOYSA-N |