5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V031-1965 |
| Compound Name: | 5-{[2-chloro-N-(cyclopropylmethyl)benzamido]methyl}-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 437.94 |
| Molecular Formula: | C21 H24 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(CC2CC2)C(c2ccccc2[Cl])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4393 |
| logD: | 3.4393 |
| logSw: | -3.8177 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.527 |
| InChI Key: | CESQTKXCJVYMDM-UHFFFAOYSA-N |