1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | V025-0545 |
| Compound Name: | 1-{4-[8-chloro-3-(3-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-1,4-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 517.05 |
| Molecular Formula: | C27 H25 Cl N6 O S |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(Cc3cccs3)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.6812 |
| logD: | 5.4005 |
| logSw: | -5.9981 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.271 |
| InChI Key: | LLZPUZLOMMNVDP-UHFFFAOYSA-N |