N-(2,3-dimethylcyclohexyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(2,3-dimethylcyclohexyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061698 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-3-[(furan-2-yl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(Cc3ccco3)C(Nc2c1)=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7545 |
| logD: | 3.7533 |
| logSw: | -3.9529 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.595 |
| InChI Key: | BMKOENPMJIDQAP-UHFFFAOYSA-N |