2-methyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
2-methyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]propan-1-one
2-methyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | V024-1105 |
| Compound Name: | 2-methyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 414.51 |
| Molecular Formula: | C24 H26 N6 O |
| Smiles: | CC(C)C(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1219 |
| logD: | 4.0608 |
| logSw: | -4.0996 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.052 |
| InChI Key: | QCWFFQIXFVKXSG-UHFFFAOYSA-N |