3-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K288-0392 |
| Compound Name: | 3-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 411.52 |
| Molecular Formula: | C22 H25 N3 O3 S |
| Smiles: | CC(C)CCNC(c1ccc2C(N(Cc3ccccc3OC)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0544 |
| logD: | 4.0536 |
| logSw: | -4.1982 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.475 |
| InChI Key: | XUWCWOVPJQFZJU-UHFFFAOYSA-N |