(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one

C172H187Cl2F5N10O18S5 — CID 157244363

IUPAC(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
SMILESCCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCCCF)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1
InChIInChI=1S/C36H41FN2O4S.2C35H38F2N2O4S.2C33H35ClN2O3S/c1-3-5-21-42-34-14-10-29(11-15-34)30-12-18-36(43-22-6-19-37)31(24-30)9-13-33(40)23-28-7-16-35(17-8-28)44(41)26-32-25-38-27-39(32)20-4-2;2*1-3-5-19-42-32-13-9-27(10-14-32)28-11-17-34(43-23-35(36)37)29(21-28)8-12-31(40)20-26-6-15-33(16-7-26)44(41)24-30-22-38-25-39(30)18-4-2;2*1-3-5-19-39-31-13-9-26(10-14-31)27-11-17-33(34)28(21-27)8-12-30(37)20-25-6-15-32(16-7-25)40(38)23-29-22-35-24-36(29)18-4-2/h7-18,24-25,27H,3-6,19-23,26H2,1-2H3;2*6-17,21-22,25,35H,3-5,18-20,23-24H2,1-2H3;2*6-17,21-22,24H,3-5,18-20,23H2,1-2H3/b13-9+;4*12-8+/t3*44-;2*40-/m11010/s1
InChIKeyAVOTYQGPBDEKIO-GRQLNFNUSA-N
MW3008.67 g/mol
LogP39.69
Rot. Bonds80

About (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one

(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one (PubChem CID 157244363) has the molecular formula C172H187Cl2F5N10O18S5 and a molecular weight of 3008.67 g/mol. Its IUPAC name is (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
PubChem CID157244363
Molecular FormulaC172H187Cl2F5N10O18S5
Molecular Weight3008.67 g/mol
Exact Mass3005.19
IUPAC Name(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
SMILESCCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCCCF)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1
InChIInChI=1S/C36H41FN2O4S.2C35H38F2N2O4S.2C33H35ClN2O3S/c1-3-5-21-42-34-14-10-29(11-15-34)30-12-18-36(43-22-6-19-37)31(24-30)9-13-33(40)23-28-7-16-35(17-8-28)44(41)26-32-25-38-27-39(32)20-4-2;2*1-3-5-19-42-32-13-9-27(10-14-32)28-11-17-34(43-23-35(36)37)29(21-28)8-12-31(40)20-26-6-15-33(16-7-26)44(41)24-30-22-38-25-39(30)18-4-2;2*1-3-5-19-39-31-13-9-26(10-14-31)27-11-17-33(34)28(21-27)8-12-30(37)20-25-6-15-32(16-7-25)40(38)23-29-22-35-24-36(29)18-4-2/h7-18,24-25,27H,3-6,19-23,26H2,1-2H3;2*6-17,21-22,25,35H,3-5,18-20,23-24H2,1-2H3;2*6-17,21-22,24H,3-5,18-20,23H2,1-2H3/b13-9+;4*12-8+/t3*44-;2*40-/m11010/s1
InChIKeyAVOTYQGPBDEKIO-GRQLNFNUSA-N
XLogP39.69
TPSA333.64 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds80
Heavy Atoms212
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003008.67
LogP ≤ 539.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one with MolForge

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Related Compounds

(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 157244366
(E)-4-[2-chloro-5-[4-(3-fluoropropoxy)phenyl]phenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158230733
(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 157244365
(E)-4-[5-(4-butoxyphenyl)-2-(difluoromethoxy)phenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158295419
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2-ethoxyphenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158231220
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2-propan-2-yloxyphenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158231222
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2-propan-2-ylphenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 159463260
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-3-chloro-2-methoxyphenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158512755
(E)-3-[5-(4-butoxyphenyl)-2-chlorophenyl]-N-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]prop-2-enamide
CID 142370001
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2,3-dimethoxyphenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 158231221
(E)-4-[5-[4-(2-butoxyethoxy)phenyl]-2-methoxy-3-methylphenyl]-1-[4-[(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one
CID 157211012
(E)-3-[5-(4-butoxyphenyl)-2-chlorophenyl]-N-[4-[(R)-(3-butylimidazol-4-yl)methylsulfinyl]phenyl]prop-2-enamide
CID 146247018

Frequently Asked Questions

What is the IUPAC name of (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one?
The IUPAC name of (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one (CID 157244363) is (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one.
What is the SMILES notation for (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one?
The canonical SMILES for (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one is CCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(Cl)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCC(F)F)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.CCCCOc1ccc(-c2ccc(OCCCF)c(/C=C/C(=O)Cc3ccc([S@](=O)Cc4cncn4CCC)cc3)c2)cc1.
What is the InChIKey of (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one?
The InChIKey is AVOTYQGPBDEKIO-GRQLNFNUSA-N. The full InChI is InChI=1S/C36H41FN2O4S.2C35H38F2N2O4S.2C33H35ClN2O3S/c1-3-5-21-42-34-14-10-29(11-15-34)30-12-18-36(43-22-6-19-37)31(24-30)9-13-33(40)23-28-7-16-35(17-8-28)44(41)26-32-25-38-27-39(32)20-4-2;2*1-3-5-19-42-32-13-9-27(10-14-32)28-11-17-34(43-23-35(36)37)29(21-28)8-12-31(40)20-26-6-15-33(16-7-26)44(41)24-30-22-38-25-39(30)18-4-2;2*1-3-5-19-39-31-13-9-26(10-14-31)27-11-17-33(34)28(21-27)8-12-30(37)20-25-6-15-32(16-7-25)40(38)23-29-22-35-24-36(29)18-4-2/h7-18,24-25,27H,3-6,19-23,26H2,1-2H3;2*6-17,21-22,25,35H,3-5,18-20,23-24H2,1-2H3;2*6-17,21-22,24H,3-5,18-20,23H2,1-2H3/b13-9+;4*12-8+/t3*44-;2*40-/m11010/s1.
What are the key properties of (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one?
(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one has a molecular weight of 3008.67 g/mol, XLogP of 39.69, 80 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-chlorophenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(S)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(2,2-difluoroethoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one;(E)-4-[5-(4-butoxyphenyl)-2-(3-fluoropropoxy)phenyl]-1-[4-[(R)-(3-propylimidazol-4-yl)methylsulfinyl]phenyl]but-3-en-2-one is sourced from PubChem (CID 157244363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).