3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-2690 |
| Compound Name: | 3-cyclopentyl-N-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C21 H20 F N3 O2 S |
| Smiles: | C1CCC(C1)N1C(c2ccc(cc2NC1=S)C(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5622 |
| logD: | 3.5612 |
| logSw: | -3.9485 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.319 |
| InChI Key: | HOBQFQNUKPXFHP-UHFFFAOYSA-N |