4-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl ethanesulfonate
Chemical Structure Depiction of
4-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl ethanesulfonate
4-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V001-3304 |
| Compound Name: | 4-{[(2H-1,3-benzodioxole-5-carbonyl)(cyclopropyl)amino]methyl}phenyl ethanesulfonate |
| Molecular Weight: | 403.45 |
| Molecular Formula: | C20 H21 N O6 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(C2CC2)C(c2ccc3c(c2)OCO3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9686 |
| logD: | 2.9686 |
| logSw: | -3.4057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.978 |
| InChI Key: | IMLVZXKCWYTVTC-UHFFFAOYSA-N |