ethyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
ethyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F065-0468 |
| Compound Name: | ethyl 4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyrrolidine-1-sulfonyl)-1-methyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 463.51 |
| Molecular Formula: | C21 H25 N3 O7 S |
| Smiles: | CCOC(c1cc(cn1C)S(N1CCCC1C(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.202 |
| logD: | 1.202 |
| logSw: | -2.4526 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.379 |
| InChI Key: | QUUQCEUWXFODOL-INIZCTEOSA-N |