methyl 4-(8-oxo-6-phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazolin-9-yl)benzoate
Chemical Structure Depiction of
methyl 4-(8-oxo-6-phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazolin-9-yl)benzoate
methyl 4-(8-oxo-6-phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazolin-9-yl)benzoate
Compound characteristics
| Compound ID: | F289-0085 |
| Compound Name: | methyl 4-(8-oxo-6-phenyl-4,5,6,7,8,9-hexahydrotetrazolo[5,1-b]quinazolin-9-yl)benzoate |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C22 H19 N5 O3 |
| Smiles: | COC(c1ccc(cc1)C1C2=C(CC(CC2=O)c2ccccc2)Nc2nnnn12)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.713 |
| logD: | 2.4319 |
| logSw: | -4.0961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.936 |
| InChI Key: | AWSKORXDERZJSE-UHFFFAOYSA-N |