N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
Chemical Structure Depiction of
N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
Compound characteristics
| Compound ID: | D411-0582 |
| Compound Name: | N-{3-[(2H-1,3-benzodioxol-5-yl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CN1CCN(CC1)C(c1ccc2c(c1)OCO2)c1c2CCCCc2sc1NC(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5017 |
| logD: | 1.9878 |
| logSw: | -4.2276 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.968 |
| InChI Key: | XJKGTZXWQFTBHO-XMMPIXPASA-N |