3-cyclohexyl-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-cyclohexyl-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-cyclohexyl-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061302 |
| Compound Name: | 3-cyclohexyl-N-(2,3-dimethylcyclohexyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(C3CCCCC3)C(Nc2c1)=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5441 |
| logD: | 4.5431 |
| logSw: | -4.3453 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.068 |
| InChI Key: | QEMPFZUUBGDTRZ-UHFFFAOYSA-N |