methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-0114 |
| Compound Name: | methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 464.63 |
| Molecular Formula: | C27 H32 N2 O3 S |
| Smiles: | CC(C)(C)c1ccc(CSC2=Nc3cc(ccc3C(N2C2CCCCC2)=O)C(=O)OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6459 |
| logD: | 6.6459 |
| logSw: | -5.5237 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 46.166 |
| InChI Key: | KKDXXAPFOGVQQA-UHFFFAOYSA-N |