N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-1029 |
| Compound Name: | N-(2-methylpropyl)-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C22 H28 N6 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC=C)C3=NN(CC(NC(C)C)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3559 |
| logD: | 1.3559 |
| logSw: | -2.5715 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.587 |
| InChI Key: | AXGWMHFVRLOAPE-UHFFFAOYSA-N |