2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4(3H)-one
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | K284-2828 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-3-[(4,6-dimethylpyrimidin-2-yl)amino]quinazolin-4(3H)-one |
| Molecular Weight: | 445.59 |
| Molecular Formula: | C25 H27 N5 O S |
| Smiles: | Cc1cc(C)nc(NN2C(=Nc3ccccc3C2=O)SCc2ccc(cc2)C(C)(C)C)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4791 |
| logD: | 4.4791 |
| logSw: | -4.2743 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.312 |
| InChI Key: | GZDMNEOAWINYGD-UHFFFAOYSA-N |