N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | L244-0161 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide |
| Molecular Weight: | 475.97 |
| Molecular Formula: | C22 H23 Cl F N5 O2 S |
| Smiles: | C1CCC2=C(C1)C(N1C(=N2)SC(=N1)N1CCCC(C1)C(NCc1ccc(cc1[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.45 |
| logD: | 3.4491 |
| logSw: | -3.8146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.155 |
| InChI Key: | HCFIDAVGIGWAGQ-AWEZNQCLSA-N |