3-(3-ethoxypropyl)-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(3-ethoxypropyl)-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-(3-ethoxypropyl)-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | K284-3214 |
Compound Name: | 3-(3-ethoxypropyl)-4-oxo-N-[(pyridin-2-yl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
Molecular Weight: | 398.48 |
Molecular Formula: | C20 H22 N4 O3 S |
Smiles: | CCOCCCN1C(c2ccc(cc2NC1=S)C(NCc1ccccn1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.062 |
logD: | 2.0593 |
logSw: | -3.0371 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.502 |
InChI Key: | LVLLDDXZOIURLP-UHFFFAOYSA-N |