1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
C220H251N29O15S — CID 158344485
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
SMILESCC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21
InChIInChI=1S/C13H16N2.C12H12N4O.5C12H13N.C12H12O2.C12H16O.C11H12N2.C11H13NO.C11H13N.C11H12O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O.2C9H11N3/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);5*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3
InChIKeyGROGXFJMSUTGLV-UHFFFAOYSA-N
MW3573.68 g/mol
LogP49.87
Rot. Bonds20
About 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (PubChem CID 158344485) has the molecular formula C220H251N29O15S and a molecular weight of 3573.68 g/mol. Its IUPAC name is 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
Molecular Properties
| Compound Name | 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one |
|---|---|
| PubChem CID | 158344485 |
| Molecular Formula | C220H251N29O15S |
| Molecular Weight | 3573.68 g/mol |
| Exact Mass | 3570.95 |
| IUPAC Name | 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one |
| SMILES | CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21 |
| InChI | InChI=1S/C13H16N2.C12H12N4O.5C12H13N.C12H12O2.C12H16O.C11H12N2.C11H13NO.C11H13N.C11H12O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O.2C9H11N3/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);5*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3 |
| InChIKey | GROGXFJMSUTGLV-UHFFFAOYSA-N |
| XLogP | 49.87 |
| TPSA | 540.63 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 265 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3573.68 |
| LogP ≤ 5 | 49.87 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 37 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The IUPAC name of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one (CID 158344485) is 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one.
What is the SMILES notation for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The canonical SMILES for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is CC(C)C1=CCC2=C1C(=O)C=CC2=O.CC(C)C1=NC2=C(CC(=O)NC2=O)C1.CC(C)C1=Nc2ccccc2C1.CC(C)C1CCc2cc3[nH]ncc3cc21.CC(C)N1C(=O)c2ccccc2S1(=O)=O.CC(C)N1Cc2ccccc2C1=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc2ncccc2c1.CC(C)c1cccc2c1OCCC2.CC(C)c1cccc2cccnc12.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ccccc2n1.CC(C)c1cncc2ccccc12.CC(C)c1coc2ccccc12.CC(C)c1nnc2[nH]c(=O)c3ccccc3n12.CC(C)n1cc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2[n+]1[O-].CC(C)n1nc2ccccc2n1.CC(C)n1nnc2ccccc21.
What is the InChIKey of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
The InChIKey is GROGXFJMSUTGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2.C12H12N4O.5C12H13N.C12H12O2.C12H16O.C11H12N2.C11H13NO.C11H13N.C11H12O.C10H12N2O2.C10H12N2O.C10H11NO3S.C10H12O2.C9H11N3O.2C9H11N3/c1-8(2)11-4-3-9-6-13-10(5-12(9)11)7-14-15-13;1-7(2)10-14-15-12-13-11(17)8-5-3-4-6-9(8)16(10)12;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-7(2)8-3-4-9-10(13)5-6-11(14)12(8)9;1-9(2)11-7-3-5-10-6-4-8-13-12(10)11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)12-7-9-5-3-4-6-10(9)11(12)13;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-8(2)10-7-12-11-6-4-3-5-9(10)11;1-5(2)7-3-6-4-8(13)12-10(14)9(6)11-7;1-8(2)11-7-9-5-3-4-6-10(9)12(11)13;1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)11-10-8-5-3-4-6-9(8)12(11)13;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-7(2)12-10-8-5-3-4-6-9(8)11-12/h5-8,11H,3-4H2,1-2H3,(H,14,15);3-7H,1-2H3,(H,13,15,17);5*3-9H,1-2H3;3,5-7H,4H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;3-8H,1-2H3;3-6,8H,7H2,1-2H3;3-6,8H,7H2,1-2H3;3-8H,1-2H3;5H,3-4H2,1-2H3,(H,12,13,14);3-8H,1-2H3;3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3;2*3-7H,1-2H3.
What are the key properties of 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one?
1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one has a molecular weight of 3573.68 g/mol, XLogP of 49.87, 20 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one;1-oxido-2-propan-2-ylbenzotriazol-1-ium;1-oxido-2-propan-2-ylindazol-1-ium;5-propan-2-yl-1,3-benzodioxole;3-propan-2-yl-1-benzofuran;1-propan-2-ylbenzotriazole;2-propan-2-ylbenzotriazole;8-propan-2-yl-3,4-dihydro-2H-chromene;2-propan-2-yl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione;3-propan-2-yl-1H-indene-4,7-dione;2-propan-2-yl-3H-indole;2-propan-2-yl-3H-isoindol-1-one;4-propan-2-ylisoquinoline;2-propan-2-ylquinoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;8-propan-2-ylquinoline;2-propan-2-ylquinoxaline;5-propan-2-yl-1,5,6,7-tetrahydrocyclopenta[f]indazole;1-propan-2-yl-4H-[1,2,4]triazolo[4,3-a]quinazolin-5-one is sourced from PubChem (CID 158344485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158344485 — identifiers, structure, computed properties (public domain)
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