3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-2417 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-N-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C25 H24 N4 O4 S |
| Smiles: | COc1ccc(CCN2C(c3ccc(cc3NC2=S)C(NCc2cccnc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.4643 |
| logD: | 2.4566 |
| logSw: | -2.7752 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.488 |
| InChI Key: | JLUFLNFMLBZBJO-UHFFFAOYSA-N |