9-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2848 |
| Compound Name: | 9-(3-chlorophenyl)-2-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 509.03 |
| Molecular Formula: | C26 H25 Cl N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Cl])n3c(N2)nc(n3)SCC(c2ccc(cc2)OC)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.336 |
| logD: | 5.1969 |
| logSw: | -6.034 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.857 |
| InChI Key: | YCCXNMMEMBGICT-QHCPKHFHSA-N |