methyl 4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0043 |
| Compound Name: | methyl 4-oxo-3-{3-[(propan-2-yl)oxy]propyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 336.41 |
| Molecular Formula: | C16 H20 N2 O4 S |
| Smiles: | CC(C)OCCCN1C(c2ccc(cc2NC1=S)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6157 |
| logD: | 2.6115 |
| logSw: | -3.2641 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.943 |
| InChI Key: | VGQZZXDIABMUSA-UHFFFAOYSA-N |