N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0921 |
| Compound Name: | N-butyl-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 372.53 |
| Molecular Formula: | C20 H28 N4 O S |
| Smiles: | CCCCNC(C1CCC(CC1)CNC1c2ccccc2NC(N=1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8054 |
| logD: | 3.2577 |
| logSw: | -3.9826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.78 |
| InChI Key: | AORSJSVRUDIXHA-UHFFFAOYSA-N |