N-(3-{(4-ethylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(3-{(4-ethylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
N-(3-{(4-ethylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D411-0699 |
| Compound Name: | N-(3-{(4-ethylpiperazin-1-yl)[4-(methylsulfanyl)phenyl]methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 495.71 |
| Molecular Formula: | C27 H33 N3 O2 S2 |
| Smiles: | CCN1CCN(CC1)C(c1ccc(cc1)SC)c1c2CCCCc2sc1NC(c1ccco1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.605 |
| logD: | 4.9577 |
| logSw: | -5.231 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.913 |
| InChI Key: | QLOMVVOAGWACPX-RUZDIDTESA-N |