4-[3-(4-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-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-[3-(4-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: | V025-0585 |
| Compound Name: | 4-[3-(4-methylphenyl)[1,2,4]triazolo[4,3-c]quinazolin-5-yl]-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 441.54 |
| Molecular Formula: | C25 H27 N7 O |
| Smiles: | Cc1ccc(cc1)c1nnc2c3ccccc3nc(N3CCCN(CC3)C(NCC=C)=O)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.0108 |
| logD: | 3.9497 |
| logSw: | -4.0263 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.036 |
| InChI Key: | NWXYNPZVTRPICO-UHFFFAOYSA-N |