N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-7579 |
| Compound Name: | N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 537.7 |
| Molecular Formula: | C29 H36 F N5 O2 S |
| Smiles: | C(CNC(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.5589 |
| logD: | 4.2277 |
| logSw: | -4.4009 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.707 |
| InChI Key: | MBRUWZOETJLJNX-UHFFFAOYSA-N |