N-[(3-chlorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
N-[(3-chlorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | L245-0001 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | C1CCC2=C(C1)C(N1C(=N2)SC(=N1)N1CCC(CC1)C(NCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1308 |
| logD: | 3.1301 |
| logSw: | -3.5611 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.222 |
| InChI Key: | JDILXUPOAUKWRW-UHFFFAOYSA-N |