N-(butan-2-yl)-2-[2-(3-chloroanilino)-2-oxoethyl]-1,5-dioxo-4-propyl-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-(3-chloroanilino)-2-oxoethyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-[2-(3-chloroanilino)-2-oxoethyl]-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0062 |
| Compound Name: | N-(butan-2-yl)-2-[2-(3-chloroanilino)-2-oxoethyl]-1,5-dioxo-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(Nc3cccc(c3)[Cl])=O)C(N2c2cc(ccc2C1=O)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4447 |
| logD: | 3.4447 |
| logSw: | -3.8986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.461 |
| InChI Key: | CMFBZKSWGPSUGL-HNNXBMFYSA-N |