N-(butan-2-yl)-2-[2-(3-chlorophenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-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-chlorophenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-2-[2-(3-chlorophenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0887 |
| Compound Name: | N-(butan-2-yl)-2-[2-(3-chlorophenyl)-2-oxoethyl]-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 495.97 |
| Molecular Formula: | C25 H26 Cl N5 O4 |
| Smiles: | CCC(C)NC(c1ccc2C(N(C(C)C)C3=NN(CC(c4cccc(c4)[Cl])=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4002 |
| logD: | 3.4002 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.301 |
| InChI Key: | LZTQLQNGCBTIET-HNNXBMFYSA-N |