5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
Chemical Structure Depiction of
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate
Compound characteristics
| Compound ID: | V025-9574 |
| Compound Name: | 5-({2-chloro-N-[(4-fluorophenyl)methyl]benzamido}methyl)-2-methoxyphenyl ethanesulfonate |
| Molecular Weight: | 491.97 |
| Molecular Formula: | C24 H23 Cl F N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(c2ccccc2[Cl])=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9217 |
| logD: | 3.9217 |
| logSw: | -4.2888 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.004 |
| InChI Key: | NTKVDESGSPNXFQ-UHFFFAOYSA-N |