3,3-dimethyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]butan-1-one
Chemical Structure Depiction of
3,3-dimethyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]butan-1-one
3,3-dimethyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]butan-1-one
Compound characteristics
| Compound ID: | V024-6260 |
| Compound Name: | 3,3-dimethyl-1-[4-(3-phenyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-1,4-diazepan-1-yl]butan-1-one |
| Molecular Weight: | 442.56 |
| Molecular Formula: | C26 H30 N6 O |
| Smiles: | CC(C)(C)CC(N1CCCN(CC1)c1nc2ccccc2c2nnc(c3ccccc3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9474 |
| logD: | 4.8863 |
| logSw: | -4.847 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.524 |
| InChI Key: | VPORVELWYXQAGM-UHFFFAOYSA-N |