2-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0037 |
| Compound Name: | 2-(2-{[(4-chlorophenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 510.98 |
| Molecular Formula: | C25 H27 Cl N6 O4 |
| Smiles: | CCCN1C2=NN(CC(NCc3ccc(cc3)[Cl])=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7379 |
| logD: | 2.7379 |
| logSw: | -3.6267 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.316 |
| InChI Key: | INGADXXOTNGSIW-UHFFFAOYSA-N |