1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propan-1-one
Compound characteristics
| Compound ID: | C361-2179 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)propan-1-one |
| Molecular Weight: | 513.61 |
| Molecular Formula: | C26 H31 N3 O6 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(CCC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6535 |
| logD: | 1.3092 |
| logSw: | -2.5285 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 81.475 |
| InChI Key: | JJPCSKXDOZZTAS-UHFFFAOYSA-N |