2-(2-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]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: | F470-1024 |
| Compound Name: | 2-(2-{[(furan-2-yl)methyl]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: | 478.51 |
| Molecular Formula: | C24 H26 N6 O5 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC=C)C3=NN(CC(NCc4ccco4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0217 |
| logD: | 2.0217 |
| logSw: | -2.9348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.09 |
| InChI Key: | OPJSYULHISWGMT-UHFFFAOYSA-N |