3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0387 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-butyl-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCCCNC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7596 |
| logD: | 3.7588 |
| logSw: | -3.9142 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.96 |
| InChI Key: | RSUPGCOJBCYDHC-UHFFFAOYSA-N |