2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-(2-methylpropyl)-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
2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-(2-methylpropyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-(2-methylpropyl)-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: | F470-1028 |
| Compound Name: | 2-{2-[(butan-2-yl)amino]-2-oxoethyl}-N-(2-methylpropyl)-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(NCC(C)C)=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7436 |
| logD: | 1.7435 |
| logSw: | -2.7233 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.055 |
| InChI Key: | FFJQDZXNKMLZEU-HNNXBMFYSA-N |