N-[2-(2-chlorophenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[2-(2-chlorophenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[2-(2-chlorophenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-6086 |
| Compound Name: | N-[2-(2-chlorophenyl)ethyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 456.01 |
| Molecular Formula: | C24 H26 Cl N3 O2 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(NCCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2248 |
| logD: | 5.2236 |
| logSw: | -5.4699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.765 |
| InChI Key: | VMHJOFBMKFRPRD-UHFFFAOYSA-N |