C154H220F2N12O16S — CID 161454438
cumene;1-(difluoromethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;(2-methoxy-4-propan-2-ylphenyl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone;2-methoxy-5-propan-2-ylpyridine;3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(oxetan-3-yl)-4-(4-propan-2-ylphenyl)piperazine;1-[(4-propan-2-ylphenyl)methyl]imidazole;[(2R)-4-(4-propan-2-ylphenyl)morpholin-2-yl]methanol;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide (PubChem CID 161454438) has the molecular formula C154H220F2N12O16S and a molecular weight of 2565.58 g/mol. Its IUPAC name is cumene;1-(difluoromethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;(2-methoxy-4-propan-2-ylphenyl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone;2-methoxy-5-propan-2-ylpyridine;3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(oxetan-3-yl)-4-(4-propan-2-ylphenyl)piperazine;1-[(4-propan-2-ylphenyl)methyl]imidazole;[(2R)-4-(4-propan-2-ylphenyl)morpholin-2-yl]methanol;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide.
| Compound Name | cumene;1-(difluoromethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;(2-methoxy-4-propan-2-ylphenyl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone;2-methoxy-5-propan-2-ylpyridine;3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(oxetan-3-yl)-4-(4-propan-2-ylphenyl)piperazine;1-[(4-propan-2-ylphenyl)methyl]imidazole;[(2R)-4-(4-propan-2-ylphenyl)morpholin-2-yl]methanol;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide |
|---|---|
| PubChem CID | 161454438 |
| Molecular Formula | C154H220F2N12O16S |
| Molecular Weight | 2565.58 g/mol |
| Exact Mass | 2563.65 |
| IUPAC Name | cumene;1-(difluoromethoxy)-2-methoxy-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;1-methoxy-4-propan-2-ylbenzene;1-(2-methoxy-4-propan-2-ylphenyl)-4-(oxetan-3-yl)piperazine;(2-methoxy-4-propan-2-ylphenyl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone;2-methoxy-5-propan-2-ylpyridine;3-methyl-1-(4-propan-2-ylphenyl)pyrrolidin-3-ol;1-(oxetan-3-yl)-4-(4-propan-2-ylphenyl)piperazine;1-[(4-propan-2-ylphenyl)methyl]imidazole;[(2R)-4-(4-propan-2-ylphenyl)morpholin-2-yl]methanol;4-(4-propan-2-ylphenyl)-1,4-thiazinane 1,1-dioxide |
| SMILES | CC(C)c1ccc(Cn2ccnc2)cc1.CC(C)c1ccc(N2CCC(C)(O)C2)cc1.CC(C)c1ccc(N2CCN(C3COC3)CC2)cc1.CC(C)c1ccc(N2CCO[C@@H](CO)C2)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)cc1.CC(C)c1ccccc1.COc1cc(C(C)C)ccc1C(=O)N1CCN(C2COC2)CC1.COc1cc(C(C)C)ccc1N1CCN(C2COC2)CC1.COc1cc(C(C)C)ccc1OC(F)F.COc1ccc(C(C)C)cc1.COc1ccc(C(C)C)cn1.COc1cccc(C(C)C)c1 |
| InChI | InChI=1S/C18H26N2O3.C17H26N2O2.C16H24N2O.C14H21NO2.C14H21NO.C13H16N2.C13H19NO2S.C11H14F2O2.2C10H14O.C9H13NO.C9H12/c1-13(2)14-4-5-16(17(10-14)22-3)18(21)20-8-6-19(7-9-20)15-11-23-12-15;1-13(2)14-4-5-16(17(10-14)20-3)19-8-6-18(7-9-19)15-11-21-12-15;1-13(2)14-3-5-15(6-4-14)17-7-9-18(10-8-17)16-11-19-12-16;1-11(2)12-3-5-13(6-4-12)15-7-8-17-14(9-15)10-16;1-11(2)12-4-6-13(7-5-12)15-9-8-14(3,16)10-15;1-11(2)13-5-3-12(4-6-13)9-15-8-7-14-10-15;1-11(2)12-3-5-13(6-4-12)14-7-9-17(15,16)10-8-14;1-7(2)8-4-5-9(15-11(12)13)10(6-8)14-3;1-8(2)9-4-6-10(11-3)7-5-9;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-4-5-9(11-3)10-6-8;1-8(2)9-6-4-3-5-7-9/h4-5,10,13,15H,6-9,11-12H2,1-3H3;4-5,10,13,15H,6-9,11-12H2,1-3H3;3-6,13,16H,7-12H2,1-2H3;3-6,11,14,16H,7-10H2,1-2H3;4-7,11,16H,8-10H2,1-3H3;3-8,10-11H,9H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-7,11H,1-3H3;2*4-8H,1-3H3;4-7H,1-3H3;3-8H,1-2H3/t;;;14-;;;;;;;;/m...1......../s1 |
| InChIKey | WAYRUZZWTVJTIQ-DHVKYQQUSA-N |
| XLogP | 30.60 |
| TPSA | 253.07 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 185 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2565.58 |
| LogP ≤ 5 | 30.60 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'} |
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