C155H174Cl12FN25O5S2 — CID 160531695
5-tert-butyl-1-methylindole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine (PubChem CID 160531695) has the molecular formula C155H174Cl12FN25O5S2 and a molecular weight of 2975.83 g/mol. Its IUPAC name is 5-tert-butyl-1-methylindole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine.
| Compound Name | 5-tert-butyl-1-methylindole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine |
|---|---|
| PubChem CID | 160531695 |
| Molecular Formula | C155H174Cl12FN25O5S2 |
| Molecular Weight | 2975.83 g/mol |
| Exact Mass | 2967.98 |
| IUPAC Name | 5-tert-butyl-1-methylindole;1-(4-chloro-3-fluoro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;5-chloro-1-methyl-7-propan-2-ylindazole;5-chloro-1-methyl-7-propan-2-ylindole;6-chloro-4-propan-2-yl-1H-benzimidazole;6-chloro-4-propan-2-yl-1H-indazole;2-(5-chloro-7-propan-2-ylindazol-1-yl)ethanol;5-chloro-7-propan-2-yl-1H-indole;1-(4-chloro-2-propan-2-ylphenyl)-4-methylsulfonyltriazole;4-(4-chloro-2-propan-2-ylphenyl)-1-methyltriazole;3-(4-chloro-2-propan-2-ylphenyl)pyridazine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;5-(4-chloro-2-propan-2-ylphenyl)pyrimidine |
| SMILES | CC(C)c1c(-n2cc(S(C)(=O)=O)nn2)ccc(Cl)c1F.CC(C)c1cc(Cl)cc2[nH]cnc12.CC(C)c1cc(Cl)cc2[nH]ncc12.CC(C)c1cc(Cl)cc2cc[nH]c12.CC(C)c1cc(Cl)cc2ccn(C)c12.CC(C)c1cc(Cl)cc2cnn(C)c12.CC(C)c1cc(Cl)cc2cnn(CCO)c12.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1cccnn1.CC(C)c1cc(Cl)ccc1-c1cn(C)nn1.CC(C)c1cc(Cl)ccc1-c1cncnc1.CC(C)c1cc(Cl)ccc1-n1cc(S(C)(=O)=O)nn1.Cn1ccc2cc(C(C)(C)C)ccc21 |
| InChI | InChI=1S/C14H14ClN.2C13H13ClN2.C13H17N.C12H13ClFN3O2S.C12H14ClN3O2S.C12H14ClN3.C12H15ClN2O.C12H14ClN.C11H13ClN2.C11H12ClN.2C10H11ClN2/c1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-9(2)13-5-11(14)3-4-12(13)10-6-15-8-16-7-10;1-9(2)12-8-10(14)5-6-11(12)13-4-3-7-15-16-13;1-13(2,3)11-5-6-12-10(9-11)7-8-14(12)4;1-7(2)11-9(5-4-8(13)12(11)14)17-6-10(15-16-17)20(3,18)19;1-8(2)10-6-9(13)4-5-11(10)16-7-12(14-15-16)19(3,17)18;1-8(2)11-6-9(13)4-5-10(11)12-7-16(3)15-14-12;1-8(2)11-6-10(13)5-9-7-14-15(3-4-16)12(9)11;1-8(2)11-7-10(13)6-9-4-5-14(3)12(9)11;1-7(2)10-5-9(12)4-8-6-13-14(3)11(8)10;1-7(2)10-6-9(12)5-8-3-4-13-11(8)10;1-6(2)8-3-7(11)4-10-9(8)5-12-13-10;1-6(2)8-3-7(11)4-9-10(8)13-5-12-9/h3-10H,1-2H3;2*3-9H,1-2H3;5-9H,1-4H3;4-7H,1-3H3;4-8H,1-3H3;4-8H,1-3H3;5-8,16H,3-4H2,1-2H3;4-8H,1-3H3;4-7H,1-3H3;3-7,13H,1-2H3;2*3-6H,1-2H3,(H,12,13) |
| InChIKey | QVPZPFYEHCYWFL-UHFFFAOYSA-N |
| XLogP | 44.87 |
| TPSA | 363.74 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 200 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2975.83 |
| LogP ≤ 5 | 44.87 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 27 |