N-[(5-methylfuran-2-yl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-[(5-methylfuran-2-yl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0977 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 410.54 |
| Molecular Formula: | C22 H26 N4 O2 S |
| Smiles: | Cc1ccc(CNC(C2CCC(CC2)CNC2c3ccccc3NC(N=2)=S)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.8103 |
| logD: | 3.2627 |
| logSw: | -4.093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.93 |
| InChI Key: | CCXWIIPJSNPXLA-UHFFFAOYSA-N |