3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3573 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 566.1 |
| Molecular Formula: | C29 H29 Cl F N5 O2 S |
| Smiles: | C(CNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)CN1CCN(CC1)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 4.7752 |
| logD: | 4.474 |
| logSw: | -4.8832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.515 |
| InChI Key: | QWJRTVSWOICPCH-UHFFFAOYSA-N |