N-(3-{(pyridin-3-yl)[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-{(pyridin-3-yl)[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
N-(3-{(pyridin-3-yl)[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D411-1066 |
| Compound Name: | N-(3-{(pyridin-3-yl)[4-(pyridin-2-yl)piperazin-1-yl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C28 H29 N5 O2 S |
| Smiles: | C1CCc2c(C1)c(C(c1cccnc1)N1CCN(CC1)c1ccccn1)c(NC(c1ccco1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.862 |
| logD: | 4.5664 |
| logSw: | -4.4696 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.666 |
| InChI Key: | XIBZUJSGMJXXPT-AREMUKBSSA-N |