5-(3-chlorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
5-(3-chlorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
Compound characteristics
| Compound ID: | Y020-7136 |
| Compound Name: | 5-(3-chlorophenyl)-1,3,8,8-tetramethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C21 H22 Cl N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N(C)C(N(C)C3=O)=O)c2cccc(c2)[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3524 |
| logD: | 0.9768 |
| logSw: | -3.6936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.359 |
| InChI Key: | CFCQDLGQEHBVSM-HNNXBMFYSA-N |