N-(3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
N-(3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D411-1068 |
| Compound Name: | N-(3-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Smiles: | C1CCc2c(C1)c(CN1CCN(CC1)c1ccccn1)c(NC(c1ccco1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1816 |
| logD: | 2.5748 |
| logSw: | -4.1325 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.127 |
| InChI Key: | KHLQENHOFFYYRH-UHFFFAOYSA-N |