N-{3-[(2-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
Chemical Structure Depiction of
N-{3-[(2-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
N-{3-[(2-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide
Compound characteristics
Compound ID: | D411-0568 |
Compound Name: | N-{3-[(2-fluorophenyl)(4-methylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}furan-2-carboxamide |
Molecular Weight: | 453.58 |
Molecular Formula: | C25 H28 F N3 O2 S |
Smiles: | CN1CCN(CC1)C(c1ccccc1F)c1c2CCCCc2sc1NC(c1ccco1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.7276 |
logD: | 3.7498 |
logSw: | -4.3612 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 37.853 |
InChI Key: | XGIALJUTCLCRJT-HSZRJFAPSA-N |