N-[3-(4-methylpiperazin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[3-(4-methylpiperazin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-[3-(4-methylpiperazin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0935 |
| Compound Name: | N-[3-(4-methylpiperazin-1-yl)propyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C24 H36 N6 O S |
| Smiles: | CN1CCN(CCCNC(C2CCC(CC2)CNC2c3ccccc3NC(N=2)=S)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.1017 |
| logD: | 0.8971 |
| logSw: | -2.9751 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.968 |
| InChI Key: | JLLFXIAIZAJSNJ-UHFFFAOYSA-N |