hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea

C271H429N39O18S6 — CID 158191268

IUPAChexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea
SMILESC1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ccccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1
InChIInChI=1S/C25H21N5O3S.2C24H20N6O3S.C23H19N7O3S.C22H19N7O3S.C21H18N8O3S.6C12H22.30C2H6/c1-16-4-2-3-5-20(16)29-24(32)28-18-8-11-22(26-14-18)33-19-9-6-17(7-10-19)21-15-27-25(34-21)30-13-12-23(30)31;1-15-19(3-2-11-25-15)29-23(32)28-17-6-9-21(26-13-17)33-18-7-4-16(5-8-18)20-14-27-24(34-20)30-12-10-22(30)31;1-15-4-2-3-5-19(15)29-22(32)28-17-12-25-23(26-13-17)33-18-8-6-16(7-9-18)20-14-27-24(34-20)30-11-10-21(30)31;1-14-18(3-2-9-24-14)29-21(32)28-16-11-25-22(26-12-16)33-17-6-4-15(5-7-17)19-13-27-23(34-19)30-10-8-20(30)31;1-28-18(8-10-25-28)27-21(31)26-15-4-7-19(23-12-15)32-16-5-2-14(3-6-16)17-13-24-22(33-17)29-11-9-20(29)30;1-28-17(6-8-25-28)27-19(31)26-14-10-22-20(23-11-14)32-15-4-2-13(3-5-15)16-12-24-21(33-16)29-9-7-18(29)30;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;30*1-2/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32);2-9,11,13-14H,10,12H2,1H3,(H2,28,29,32);2-9,12-14H,10-11H2,1H3,(H2,28,29,32);2-7,9,11-13H,8,10H2,1H3,(H2,28,29,32);2-8,10,12-13H,9,11H2,1H3,(H2,26,27,31);2-6,8,10-12H,7,9H2,1H3,(H2,26,27,31);6*11-12H,1-10H2;30*1-2H3
InChIKeyFZTZGIBRBPIUOO-UHFFFAOYSA-N
MW4714.07 g/mol
LogP83.61
Rot. Bonds42

About hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea

hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea (PubChem CID 158191268) has the molecular formula C271H429N39O18S6 and a molecular weight of 4714.07 g/mol. Its IUPAC name is hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea.

Molecular Properties

Compound Namehexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea
PubChem CID158191268
Molecular FormulaC271H429N39O18S6
Molecular Weight4714.07 g/mol
Exact Mass4710.22
IUPAC Namehexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea
SMILESC1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ccccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1
InChIInChI=1S/C25H21N5O3S.2C24H20N6O3S.C23H19N7O3S.C22H19N7O3S.C21H18N8O3S.6C12H22.30C2H6/c1-16-4-2-3-5-20(16)29-24(32)28-18-8-11-22(26-14-18)33-19-9-6-17(7-10-19)21-15-27-25(34-21)30-13-12-23(30)31;1-15-19(3-2-11-25-15)29-23(32)28-17-6-9-21(26-13-17)33-18-7-4-16(5-8-18)20-14-27-24(34-20)30-12-10-22(30)31;1-15-4-2-3-5-19(15)29-22(32)28-17-12-25-23(26-13-17)33-18-8-6-16(7-9-18)20-14-27-24(34-20)30-11-10-21(30)31;1-14-18(3-2-9-24-14)29-21(32)28-16-11-25-22(26-12-16)33-17-6-4-15(5-7-17)19-13-27-23(34-19)30-10-8-20(30)31;1-28-18(8-10-25-28)27-21(31)26-15-4-7-19(23-12-15)32-16-5-2-14(3-6-16)17-13-24-22(33-17)29-11-9-20(29)30;1-28-17(6-8-25-28)27-19(31)26-14-10-22-20(23-11-14)32-15-4-2-13(3-5-15)16-12-24-21(33-16)29-9-7-18(29)30;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;30*1-2/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32);2-9,11,13-14H,10,12H2,1H3,(H2,28,29,32);2-9,12-14H,10-11H2,1H3,(H2,28,29,32);2-7,9,11-13H,8,10H2,1H3,(H2,28,29,32);2-8,10,12-13H,9,11H2,1H3,(H2,26,27,31);2-6,8,10-12H,7,9H2,1H3,(H2,26,27,31);6*11-12H,1-10H2;30*1-2H3
InChIKeyFZTZGIBRBPIUOO-UHFFFAOYSA-N
XLogP83.61
TPSA678.79 Ų
H-Bond Donors12
H-Bond Acceptors45
Rotatable Bonds42
Heavy Atoms334
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004714.07
LogP ≤ 583.61
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1045

Analyze hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea?
The IUPAC name of hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea (CID 158191268) is hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea.
What is the SMILES notation for hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea?
The canonical SMILES for hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea is C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.C1CCC(C2CCCCC2)CC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ccccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cc1ncccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1ccc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.Cn1nccc1NC(=O)Nc1cnc(Oc2ccc(-c3cnc(N4CCC4=O)s3)cc2)nc1.
What is the InChIKey of hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea?
The InChIKey is FZTZGIBRBPIUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S.2C24H20N6O3S.C23H19N7O3S.C22H19N7O3S.C21H18N8O3S.6C12H22.30C2H6/c1-16-4-2-3-5-20(16)29-24(32)28-18-8-11-22(26-14-18)33-19-9-6-17(7-10-19)21-15-27-25(34-21)30-13-12-23(30)31;1-15-19(3-2-11-25-15)29-23(32)28-17-6-9-21(26-13-17)33-18-7-4-16(5-8-18)20-14-27-24(34-20)30-12-10-22(30)31;1-15-4-2-3-5-19(15)29-22(32)28-17-12-25-23(26-13-17)33-18-8-6-16(7-9-18)20-14-27-24(34-20)30-11-10-21(30)31;1-14-18(3-2-9-24-14)29-21(32)28-16-11-25-22(26-12-16)33-17-6-4-15(5-7-17)19-13-27-23(34-19)30-10-8-20(30)31;1-28-18(8-10-25-28)27-21(31)26-15-4-7-19(23-12-15)32-16-5-2-14(3-6-16)17-13-24-22(33-17)29-11-9-20(29)30;1-28-17(6-8-25-28)27-19(31)26-14-10-22-20(23-11-14)32-15-4-2-13(3-5-15)16-12-24-21(33-16)29-9-7-18(29)30;6*1-3-7-11(8-4-1)12-9-5-2-6-10-12;30*1-2/h2-11,14-15H,12-13H2,1H3,(H2,28,29,32);2-9,11,13-14H,10,12H2,1H3,(H2,28,29,32);2-9,12-14H,10-11H2,1H3,(H2,28,29,32);2-7,9,11-13H,8,10H2,1H3,(H2,28,29,32);2-8,10,12-13H,9,11H2,1H3,(H2,26,27,31);2-6,8,10-12H,7,9H2,1H3,(H2,26,27,31);6*11-12H,1-10H2;30*1-2H3.
What are the key properties of hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea?
hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea has a molecular weight of 4714.07 g/mol, XLogP of 83.61, 42 rotatable bonds, 12 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(cyclohexylcyclohexane);ethane;1-(2-methylphenyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylphenyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methylpyrazol-3-yl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methylpyrazol-3-yl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea;1-(2-methyl-3-pyridinyl)-3-[6-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]-3-pyridinyl]urea;1-(2-methyl-3-pyridinyl)-3-[2-[4-[2-(2-oxoazetidin-1-yl)-1,3-thiazol-5-yl]phenoxy]pyrimidin-5-yl]urea is sourced from PubChem (CID 158191268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).