methyl 4-oxo-3-[3-oxo-3-(propylamino)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-[3-oxo-3-(propylamino)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-[3-oxo-3-(propylamino)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0155 |
| Compound Name: | methyl 4-oxo-3-[3-oxo-3-(propylamino)propyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C16 H19 N3 O4 S |
| Smiles: | CCCNC(CCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7591 |
| logD: | 1.754 |
| logSw: | -2.6812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.055 |
| InChI Key: | AOBHMSWWHTWFCM-UHFFFAOYSA-N |