2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0692 |
| Compound Name: | 2-{[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl}-N,3-bis(2-methylpropyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)C(CSC1=Nc2cc(ccc2C(N1CC(C)C)=O)C(NCC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7042 |
| logD: | 4.7042 |
| logSw: | -4.3697 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.098 |
| InChI Key: | XYTODORNWDTEJI-UHFFFAOYSA-N |