4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V029-0450 |
| Compound Name: | 4-[8-chloro-3-(2-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 475.98 |
| Molecular Formula: | C25 H26 Cl N7 O |
| Salt: | not_available |
| Smiles: | Cc1ccccc1c1nnc2c3ccc(cc3nc(N3CCCN(CC3)C(NCC=C)=O)n12)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5764 |
| logD: | 4.4604 |
| logSw: | -4.6836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.036 |
| InChI Key: | MCKKMXACJPCOCB-UHFFFAOYSA-N |