N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-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-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-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: | L244-0138 |
Compound Name: | N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(5-oxo-6,7,8,9-tetrahydro-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)piperidine-3-carboxamide |
Molecular Weight: | 483.64 |
Molecular Formula: | C24 H33 N7 O2 S |
Smiles: | CCn1c(C)c(CCNC(C2CCCN(C2)C2=NN3C(=NC4CCCCC=4C3=O)S2)=O)c(C)n1 |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7719 |
logD: | 1.7711 |
logSw: | -2.1675 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.275 |
InChI Key: | KMMCLYOTGGBZEZ-KRWDZBQOSA-N |