9-(4-methoxyphenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-methoxyphenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-methoxyphenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-1224 |
| Compound Name: | 9-(4-methoxyphenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 468.58 |
| Molecular Formula: | C27 H24 N4 O2 S |
| Smiles: | COc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc2ccccc2c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9137 |
| logD: | 5.8518 |
| logSw: | -6.4222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.339 |
| InChI Key: | BQKQUDDYWNSADY-VWLOTQADSA-N |