methyl 4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
Chemical Structure Depiction of
methyl 4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
methyl 4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate
Compound characteristics
| Compound ID: | C202-0728 |
| Compound Name: | methyl 4-[2-(benzylsulfanyl)-8-oxo-4,5,6,7,8,9-hexahydro[1,2,4]triazolo[5,1-b]quinazolin-9-yl]benzoate |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4332 |
| logD: | 4.3713 |
| logSw: | -4.4439 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.241 |
| InChI Key: | UBSMNUYGKDSUGJ-NRFANRHFSA-N |