methyl 3-(4-{[(4-fluorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-(4-{[(4-fluorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-(4-{[(4-fluorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0226 |
| Compound Name: | methyl 3-(4-{[(4-fluorophenyl)methyl]amino}-4-oxobutyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 429.47 |
| Molecular Formula: | C21 H20 F N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(NCc3ccc(cc3)F)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.468 |
| logD: | 2.4638 |
| logSw: | -3.0676 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.942 |
| InChI Key: | KGIKTQGWZPNVOO-UHFFFAOYSA-N |