2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | F067-0516 |
| Compound Name: | 2-{[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl}-N-(2-methoxyethyl)-3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C28 H25 N3 O7 S |
| Smiles: | COCCNC(c1ccc2C(N(C(=Nc2c1)SCC(c1ccc2c(c1)OCO2)=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1521 |
| logD: | 3.152 |
| logSw: | -3.613 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.935 |
| InChI Key: | LIGZNGQHACVWIF-UHFFFAOYSA-N |