2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Chemical Structure Depiction of
2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane]
Compound characteristics
| Compound ID: | IB07-1892 |
| Compound Name: | 2-[3-(3-methylbutoxy)phenyl]-5H-spiro[benzo[h][1,2,4]triazolo[1,5-c]quinazoline-4,1'-cyclohexane] |
| Molecular Weight: | 452.6 |
| Molecular Formula: | C29 H32 N4 O |
| Smiles: | CC(C)CCOc1cccc(c1)c1nc2C3=C(c4ccccc4CC34CCCCC4)N=Cn2n1 |
| Stereo: | ACHIRAL |
| logP: | 7.07 |
| logD: | 6.79 |
| logSw: | -7.52 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 60.87 |
| InChI Key: | OGDLEAKDDUYFHU-UHFFFAOYSA-N |