N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015968 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 559.68 |
| Molecular Formula: | C31 H33 N3 O5 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1CCc1ccccc1)=O)C(Nc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0798 |
| logD: | 5.0773 |
| logSw: | -4.8228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.62 |
| InChI Key: | SCSZGEZYIFNRHL-UHFFFAOYSA-N |