6,6-dimethyl-9-(4-nitrophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
6,6-dimethyl-9-(4-nitrophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
6,6-dimethyl-9-(4-nitrophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2762 |
| Compound Name: | 6,6-dimethyl-9-(4-nitrophenyl)-2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[N+]([O-])=O)n3c(N2)nc(n3)SCC(c2ccccc2)=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5713 |
| logD: | 4.4322 |
| logSw: | -4.4668 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.695 |
| InChI Key: | SRNYHJSPBVLYSK-QFIPXVFZSA-N |