N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-2104 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 427.61 |
| Molecular Formula: | C24 H33 N3 O2 S |
| Smiles: | CC1CCCC(C1C)NC(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6575 |
| logD: | 4.6564 |
| logSw: | -4.3842 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.039 |
| InChI Key: | YSZCNTBANITDNB-UHFFFAOYSA-N |