5-[(2-chloro-N-cyclopropylbenzamido)methyl]-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-[(2-chloro-N-cyclopropylbenzamido)methyl]-2-methoxyphenyl ethanesulfonate
5-[(2-chloro-N-cyclopropylbenzamido)methyl]-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-5581 |
| Compound Name: | 5-[(2-chloro-N-cyclopropylbenzamido)methyl]-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 423.91 |
| Molecular Formula: | C20 H22 Cl N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(C2CC2)C(c2ccccc2[Cl])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2791 |
| logD: | 3.2791 |
| logSw: | -3.6783 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.579 |
| InChI Key: | OSAURHDIDHWMCE-UHFFFAOYSA-N |