methyl 4-oxo-3-[4-oxo-4-(propylamino)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[4-oxo-4-(propylamino)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[4-oxo-4-(propylamino)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0224 |
| Compound Name: | methyl 4-oxo-3-[4-oxo-4-(propylamino)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 363.43 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Smiles: | CCCNC(CCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5059 |
| logD: | 1.5017 |
| logSw: | -2.4903 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.055 |
| InChI Key: | SIVRCYHAYOLONI-UHFFFAOYSA-N |