N-{[4-(methylsulfanyl)phenyl]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-{[4-(methylsulfanyl)phenyl]methyl}-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-4-carboxamide
N-{[4-(methylsulfanyl)phenyl]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: | L245-0164 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]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: | 469.63 |
| Molecular Formula: | C23 H27 N5 O2 S2 |
| Smiles: | CSc1ccc(CNC(C2CCN(CC2)C2=NN3C(=NC4CCCCC=4C3=O)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1528 |
| logD: | 3.1521 |
| logSw: | -3.2766 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.222 |
| InChI Key: | ZUCZTFQYDDPCKO-UHFFFAOYSA-N |