N-(butan-2-yl)-2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1,5-dioxo-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-(butan-2-yl)-2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1,5-dioxo-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: | F470-1012 |
| Compound Name: | N-(butan-2-yl)-2-{2-[(butan-2-yl)amino]-2-oxoethyl}-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C23 H30 N6 O4 |
| Smiles: | CCC(C)NC(CN1C(N2C(=N1)N(CC=C)C(c1ccc(cc12)C(NC(C)CC)=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.438 |
| logD: | 1.438 |
| logSw: | -2.5601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.496 |
| InChI Key: | IQAFMTXIYNEUNC-UHFFFAOYSA-N |