4-{[(4-chlorophenyl)-N-cyclopropylcarbamamido]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(4-chlorophenyl)-N-cyclopropylcarbamamido]methyl}phenyl ethanesulfonate
4-{[(4-chlorophenyl)-N-cyclopropylcarbamamido]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V007-0715 |
| Compound Name: | 4-{[(4-chlorophenyl)-N-cyclopropylcarbamamido]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 408.9 |
| Molecular Formula: | C19 H21 Cl N2 O4 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(Nc2ccc(cc2)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8885 |
| logD: | 3.8885 |
| logSw: | -4.3386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.683 |
| InChI Key: | OOAHGCLBJFTAFQ-UHFFFAOYSA-N |