3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V030-1077 |
| Compound Name: | 3-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 504.43 |
| Molecular Formula: | C25 H23 Cl2 N O4 S |
| Smiles: | Cc1cccc(c1S(=O)(=O)Oc1cccc(CN(CC2CC2)C(c2ccccc2[Cl])=O)c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5777 |
| logD: | 5.5777 |
| logSw: | -5.7909 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.463 |
| InChI Key: | FDNPEIHUMFQJKA-UHFFFAOYSA-N |