9-(2-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(2-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
9-(2-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | K832-4173 |
| Compound Name: | 9-(2-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 329.79 |
| Molecular Formula: | C16 H16 Cl N5 O |
| Smiles: | CC1(C)CC2=C(C(c3ccccc3[Cl])n3c(N2)nnn3)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9984 |
| logD: | 2.0456 |
| logSw: | -3.447 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.034 |
| InChI Key: | LFBMSEQJTDXMDM-AWEZNQCLSA-N |