2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one

C127H163F14N19O13S5 — CID 161140445

IUPAC2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one
SMILESCc1ncc(OCC(=O)C[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1.Cn1c(C(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cccc1=O.Cn1cc(CC(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)F)sc5CC4)CC3)cccc2n1
InChIInChI=1S/C27H33F3N4O2S.C27H34F2N4O2S.C25H32F3N3O3S.C24H31F3N4O4S.C24H33F3N4O2S/c1-33-16-21-20(3-2-4-22(21)32-33)24(35)15-19-7-5-18(6-8-19)9-12-34-13-10-23-25(11-14-34)37-26(31-23)36-17-27(28,29)30;1-32-16-21-20(3-2-4-22(21)31-32)24(34)15-19-7-5-18(6-8-19)9-12-33-13-10-23-25(11-14-33)36-27(30-23)35-17-26(28)29;1-30-20(3-2-4-23(30)33)21(32)15-18-7-5-17(6-8-18)9-12-31-13-10-19-22(11-14-31)35-24(29-19)34-16-25(26,27)28;1-16-28-11-20(12-29-16)34-14-18(32)10-17-2-3-19(33-13-17)4-7-31-8-5-21-22(6-9-31)36-23(30-21)35-15-24(25,26)27;1-30-15-19(14-28-30)13-20(32)12-18-4-2-17(3-5-18)6-9-31-10-7-21-22(8-11-31)34-23(29-21)33-16-24(25,26)27/h2-4,16,18-19H,5-15,17H2,1H3;2-4,16,18-19,26H,5-15,17H2,1H3;2-4,17-18H,5-16H2,1H3;11-12,17,19H,2-10,13-15H2,1H3;14-15,17-18H,2-13,16H2,1H3/t;;;17-,19-;/m...1./s1
InChIKeyUNJHVUKUZIXNDV-ZYAYQFKOSA-N
MW2590.13 g/mol
LogP24.46
Rot. Bonds44

About 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one

2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one (PubChem CID 161140445) has the molecular formula C127H163F14N19O13S5 and a molecular weight of 2590.13 g/mol. Its IUPAC name is 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one.

Molecular Properties

Compound Name2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one
PubChem CID161140445
Molecular FormulaC127H163F14N19O13S5
Molecular Weight2590.13 g/mol
Exact Mass2588.11
IUPAC Name2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one
SMILESCc1ncc(OCC(=O)C[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1.Cn1c(C(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cccc1=O.Cn1cc(CC(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)F)sc5CC4)CC3)cccc2n1
InChIInChI=1S/C27H33F3N4O2S.C27H34F2N4O2S.C25H32F3N3O3S.C24H31F3N4O4S.C24H33F3N4O2S/c1-33-16-21-20(3-2-4-22(21)32-33)24(35)15-19-7-5-18(6-8-19)9-12-34-13-10-23-25(11-14-34)37-26(31-23)36-17-27(28,29)30;1-32-16-21-20(3-2-4-22(21)31-32)24(34)15-19-7-5-18(6-8-19)9-12-33-13-10-23-25(11-14-33)36-27(30-23)35-17-26(28)29;1-30-20(3-2-4-23(30)33)21(32)15-18-7-5-17(6-8-18)9-12-31-13-10-19-22(11-14-31)35-24(29-19)34-16-25(26,27)28;1-16-28-11-20(12-29-16)34-14-18(32)10-17-2-3-19(33-13-17)4-7-31-8-5-21-22(6-9-31)36-23(30-21)35-15-24(25,26)27;1-30-15-19(14-28-30)13-20(32)12-18-4-2-17(3-5-18)6-9-31-10-7-21-22(8-11-31)34-23(29-21)33-16-24(25,26)27/h2-4,16,18-19H,5-15,17H2,1H3;2-4,16,18-19,26H,5-15,17H2,1H3;2-4,17-18H,5-16H2,1H3;11-12,17,19H,2-10,13-15H2,1H3;14-15,17-18H,2-13,16H2,1H3/t;;;17-,19-;/m...1./s1
InChIKeyUNJHVUKUZIXNDV-ZYAYQFKOSA-N
XLogP24.46
TPSA331.85 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds44
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002590.13
LogP ≤ 524.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one?
The IUPAC name of 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one (CID 161140445) is 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one.
What is the SMILES notation for 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one?
The canonical SMILES for 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one is Cc1ncc(OCC(=O)C[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)OC2)cn1.Cn1c(C(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cccc1=O.Cn1cc(CC(=O)CC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)cn1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)(F)F)sc5CC4)CC3)cccc2n1.Cn1cc2c(C(=O)CC3CCC(CCN4CCc5nc(OCC(F)F)sc5CC4)CC3)cccc2n1.
What is the InChIKey of 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one?
The InChIKey is UNJHVUKUZIXNDV-ZYAYQFKOSA-N. The full InChI is InChI=1S/C27H33F3N4O2S.C27H34F2N4O2S.C25H32F3N3O3S.C24H31F3N4O4S.C24H33F3N4O2S/c1-33-16-21-20(3-2-4-22(21)32-33)24(35)15-19-7-5-18(6-8-19)9-12-34-13-10-23-25(11-14-34)37-26(31-23)36-17-27(28,29)30;1-32-16-21-20(3-2-4-22(21)31-32)24(34)15-19-7-5-18(6-8-19)9-12-33-13-10-23-25(11-14-33)36-27(30-23)35-17-26(28)29;1-30-20(3-2-4-23(30)33)21(32)15-18-7-5-17(6-8-18)9-12-31-13-10-19-22(11-14-31)35-24(29-19)34-16-25(26,27)28;1-16-28-11-20(12-29-16)34-14-18(32)10-17-2-3-19(33-13-17)4-7-31-8-5-21-22(6-9-31)36-23(30-21)35-15-24(25,26)27;1-30-15-19(14-28-30)13-20(32)12-18-4-2-17(3-5-18)6-9-31-10-7-21-22(8-11-31)34-23(29-21)33-16-24(25,26)27/h2-4,16,18-19H,5-15,17H2,1H3;2-4,16,18-19,26H,5-15,17H2,1H3;2-4,17-18H,5-16H2,1H3;11-12,17,19H,2-10,13-15H2,1H3;14-15,17-18H,2-13,16H2,1H3/t;;;17-,19-;/m...1./s1.
What are the key properties of 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one?
2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one has a molecular weight of 2590.13 g/mol, XLogP of 24.46, 44 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-(2,2-difluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]-1-(2-methylindazol-4-yl)ethanone;1-(2-methylindazol-4-yl)-2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]ethanone;1-(1-methylpyrazol-4-yl)-3-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]propan-2-one;1-(2-methylpyrimidin-5-yl)oxy-3-[(3R,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]oxan-3-yl]propan-2-one;1-methyl-6-[2-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]acetyl]pyridin-2-one is sourced from PubChem (CID 161140445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).