methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2836 |
| Compound Name: | methyl 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C27 H29 N5 O3 S |
| Smiles: | Cc1cc(C)nc(NN2C(=Nc3cc(ccc3C2=O)C(=O)OC)SCc2ccc(cc2)C(C)(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.7706 |
| logD: | 4.7706 |
| logSw: | -4.5708 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.486 |
| InChI Key: | XDNSTFVRMVHMTR-UHFFFAOYSA-N |