N-[2-(4-chlorophenyl)ethyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
N-[2-(4-chlorophenyl)ethyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K297-0968 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-4-{[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 455.02 |
| Molecular Formula: | C24 H27 Cl N4 O S |
| Smiles: | C1CC(CCC1CNC1c2ccccc2NC(N=1)=S)C(NCCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5211 |
| logD: | 3.9734 |
| logSw: | -4.8511 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.509 |
| InChI Key: | NFBVEMGVKJRFLK-UHFFFAOYSA-N |