8-chloro-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-propyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Chemical Structure Depiction of
8-chloro-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-propyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
8-chloro-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-propyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione
Compound characteristics
Compound ID: | F366-0399 |
Compound Name: | 8-chloro-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-propyl-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione |
Molecular Weight: | 424.89 |
Molecular Formula: | C22 H21 Cl N4 O3 |
Smiles: | CCCN1C2=NN(CC(c3ccc(C)cc3C)=O)C(N2c2cc(ccc2C1=O)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 4.361 |
logD: | 4.361 |
logSw: | -4.5177 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 61.432 |
InChI Key: | UCSDCSLOMCOTQJ-UHFFFAOYSA-N |