N-(3-chloro-4-methoxyphenyl)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-(3-chloro-4-methoxyphenyl)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0061761 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1[Cl])NC(c1ccc2C(N(CC3CCCO3)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3634 |
| logD: | 3.3474 |
| logSw: | -3.7743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.694 |
| InChI Key: | ATEWMRCMWKQFKU-CQSZACIVSA-N |