3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0900 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(3,4-dichlorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 514.39 |
| Molecular Formula: | C24 H17 Cl2 N3 O4 S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3061 |
| logD: | 5.3053 |
| logSw: | -5.9335 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.847 |
| InChI Key: | VOFZDXLXHDCMNP-UHFFFAOYSA-N |