ethyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0035 |
| Compound Name: | ethyl 4-(3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C24 H31 N3 O5 |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7449 |
| logD: | 2.4007 |
| logSw: | -3.0253 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.75 |
| InChI Key: | HTEZXABVJKKPNS-UHFFFAOYSA-N |