2-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-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-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-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: | F470-0998 |
| Compound Name: | 2-{2-[(4-fluorophenyl)(methyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 492.51 |
| Molecular Formula: | C25 H25 F N6 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(CC=C)C3=NN(CC(N(C)c4ccc(cc4)F)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6091 |
| logD: | 1.6091 |
| logSw: | -2.571 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.958 |
| InChI Key: | IPXQRHDDBQDOQN-UHFFFAOYSA-N |