4-({cyclopropyl[(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({cyclopropyl[(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
4-({cyclopropyl[(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3292 |
| Compound Name: | 4-({cyclopropyl[(thiophen-2-yl)acetyl]amino}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 379.5 |
| Molecular Formula: | C18 H21 N O4 S2 |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(Cc2cccs2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.764 |
| logD: | 2.764 |
| logSw: | -3.0405 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.353 |
| InChI Key: | KTVAKKXEXXCMHN-UHFFFAOYSA-N |