3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-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-methoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0499 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | COCCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6394 |
| logD: | 2.6386 |
| logSw: | -3.2767 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.302 |
| InChI Key: | YYDUTONBWPIRES-UHFFFAOYSA-N |