N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0939 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 536.72 |
| Molecular Formula: | C29 H37 F N6 O S |
| Smiles: | C(CNC(C1CCC(CC1)CNC1c2ccccc2NC(N=1)=S)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.0974 |
| logD: | 3.5497 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.451 |
| InChI Key: | USFNVVDQRFJION-UHFFFAOYSA-N |