N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V002-1429 |
| Compound Name: | N-[3-{[2-(3,4-dimethoxyphenyl)ethyl]sulfamoyl}-4-(pyrrolidin-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 553.63 |
| Molecular Formula: | C28 H31 N3 O7 S |
| Salt: | not_available |
| Smiles: | COc1ccc(CCNS(c2cc(ccc2N2CCCC2)NC(c2ccc3c(c2)OCO3)=O)(=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.2552 |
| logD: | 4.2543 |
| logSw: | -4.2623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.823 |
| InChI Key: | YZHHVHGAUNXJOP-UHFFFAOYSA-N |