1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate

C189H194F5N21O21S4 — CID 162075657

IUPAC1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1
InChIInChI=1S/C33H30FN5O3S.C33H30FN5O2S.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H33N3O4S/c1-22(23-5-9-25(34)10-6-23)42-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(19-31(29)39(32)27-3-2-4-27)43(41)18-17-38-16-15-36-21-38;1-22(23-5-9-25(34)10-6-23)41-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(42-18-17-38-16-15-36-21-38)19-31(29)39(32)27-3-2-4-27;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34)
InChIKeyZBRBPLVYMPEWSF-UHFFFAOYSA-N
MW3319.01 g/mol
LogP47.94
Rot. Bonds46

About 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate

1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate (PubChem CID 162075657) has the molecular formula C189H194F5N21O21S4 and a molecular weight of 3319.01 g/mol. Its IUPAC name is 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate.

Molecular Properties

Compound Name1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
PubChem CID162075657
Molecular FormulaC189H194F5N21O21S4
Molecular Weight3319.01 g/mol
Exact Mass3316.36
IUPAC Name1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate
SMILESCC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1
InChIInChI=1S/C33H30FN5O3S.C33H30FN5O2S.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H33N3O4S/c1-22(23-5-9-25(34)10-6-23)42-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(19-31(29)39(32)27-3-2-4-27)43(41)18-17-38-16-15-36-21-38;1-22(23-5-9-25(34)10-6-23)41-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(42-18-17-38-16-15-36-21-38)19-31(29)39(32)27-3-2-4-27;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34)
InChIKeyZBRBPLVYMPEWSF-UHFFFAOYSA-N
XLogP47.94
TPSA476.27 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds46
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003319.01
LogP ≤ 547.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate?
The IUPAC name of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate (CID 162075657) is 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate.
What is the SMILES notation for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate?
The canonical SMILES for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate is CC(C)OC(=O)Nc1ccc(-c2c(-c3cscn3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(S(=O)CCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CC(OC(=O)Nc1ccc(-c2c(C#N)c3ccc(SCCn4ccnc4)cc3n2C2CCC2)cc1)c1ccc(F)cc1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)co1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1.
What is the InChIKey of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate?
The InChIKey is ZBRBPLVYMPEWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN5O3S.C33H30FN5O2S.C31H31F3N2O3.C31H35N3O5.C31H35N3O4S.C30H33N3O4S/c1-22(23-5-9-25(34)10-6-23)42-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(19-31(29)39(32)27-3-2-4-27)43(41)18-17-38-16-15-36-21-38;1-22(23-5-9-25(34)10-6-23)41-33(40)37-26-11-7-24(8-12-26)32-30(20-35)29-14-13-28(42-18-17-38-16-15-36-21-38)19-31(29)39(32)27-3-2-4-27;1-4-38-25-16-17-26-27(18-25)36(24-6-5-7-24)29(28(26)20-8-12-22(13-9-20)31(32,33)34)21-10-14-23(15-11-21)35-30(37)39-19(2)3;1-19(2)38-31(35)33-22-9-7-21(8-10-22)30-29(27-18-37-20(3)32-27)26-12-11-25(39-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)37-31(35)33-22-9-7-21(8-10-22)30-29(27-18-39-20(3)32-27)26-12-11-25(38-24-13-15-36-16-14-24)17-28(26)34(30)23-5-4-6-23;1-19(2)36-30(34)32-21-8-6-20(7-9-21)29-28(26-17-38-18-31-26)25-11-10-24(37-23-12-14-35-15-13-23)16-27(25)33(29)22-4-3-5-22/h5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);5-16,19,21-22,27H,2-4,17-18H2,1H3,(H,37,40);8-19,24H,4-7H2,1-3H3,(H,35,37);2*7-12,17-19,23-24H,4-6,13-16H2,1-3H3,(H,33,35);6-11,16-19,22-23H,3-5,12-15H2,1-2H3,(H,32,34).
What are the key properties of 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate?
1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate has a molecular weight of 3319.01 g/mol, XLogP of 47.94, 46 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfanyl)indol-2-yl]phenyl]carbamate;1-(4-fluorophenyl)ethyl N-[4-[3-cyano-1-cyclobutyl-6-(2-imidazol-1-ylethylsulfinyl)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-oxazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;propan-2-yl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-(1,3-thiazol-4-yl)indol-2-yl]phenyl]carbamate is sourced from PubChem (CID 162075657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).