{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Chemical Structure Depiction of
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone
Compound characteristics
| Compound ID: | V025-0533 |
| Compound Name: | {4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}(phenyl)methanone |
| Molecular Weight: | 497 |
| Molecular Formula: | C28 H25 Cl N6 O |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(c3ccccc3)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7456 |
| logD: | 5.4649 |
| logSw: | -5.9931 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.78 |
| InChI Key: | KBQPYUGDWZIZKH-UHFFFAOYSA-N |