N-[(2-chlorophenyl)methyl]-4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3391 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-({2-[(cyanomethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 481.02 |
| Molecular Formula: | C25 H25 Cl N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(=Nc2ccccc2C1=O)SCC#N)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2912 |
| logD: | 4.2912 |
| logSw: | -4.5284 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.14 |
| InChI Key: | IJGHUUQFEOTKCQ-UHFFFAOYSA-N |