N-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015961 |
| Compound Name: | N-benzyl-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C30 H31 N3 O3 S |
| Smiles: | CC(C)(C)C(CSC1=Nc2cc(ccc2C(N1CCc1ccccc1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2108 |
| logD: | 5.2108 |
| logSw: | -4.9932 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.681 |
| InChI Key: | WQYFHRPUIOXXKC-UHFFFAOYSA-N |