tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide

C172H203Cl10F3N34O22 — CID 167691852

IUPACtert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)C1C2C(CN1C(=O)OC(C)(C)C)C2(C)C.CC(C)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CC(C)NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1.CC(C)NC(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)NC(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.CC(C)NC(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)NC(=O)c1nc2ccccc2[nH]1.COc1c(Cl)ccc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12
InChIInChI=1S/C16H28N2O3.2C13H15ClN2O2.C13H16N2O2.2C12H12Cl2N2O.2C12H13ClN2O.C12H12F3N3O2.2C12H15N3O2.2C11H12ClN3O.C11H13N3O/c1-9(2)17-13(19)12-11-10(16(11,6)7)8-18(12)14(20)21-15(3,4)5;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-7(2)15-13(17)11-6-8-10(16-11)5-4-9(14)12(8)18-3;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)15-12(17)11-5-8-9(14)3-7(13)4-10(8)16-11;1-6(2)15-12(17)10-5-7-8(13)3-4-9(14)11(7)16-10;1-7(2)14-12(16)11-6-8-9(13)4-3-5-10(8)15-11;1-7(2)14-12(16)10-6-8-4-3-5-9(13)11(8)15-10;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15;2*1-7(2)13-12(16)11-14-8-5-4-6-9(17-3)10(8)15-11;1-6(2)13-11(16)10-14-8-4-3-7(12)5-9(8)15-10;1-6(2)13-11(16)10-14-8-5-3-4-7(12)9(8)15-10;1-7(2)12-11(15)10-13-8-5-3-4-6-9(8)14-10/h9-12H,8H2,1-7H3,(H,17,19);2*4-7,16H,1-3H3,(H,15,17);4-8,15H,1-3H3,(H,14,16);2*3-6,16H,1-2H3,(H,15,17);2*3-7,15H,1-2H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18);2*4-7H,1-3H3,(H,13,16)(H,14,15);2*3-6H,1-2H3,(H,13,16)(H,14,15);3-7H,1-2H3,(H,12,15)(H,13,14)
InChIKeyXBHUKMPUZSLBBL-UHFFFAOYSA-N
MW3510.26 g/mol
LogP36.23
Rot. Bonds34

About tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide

tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide (PubChem CID 167691852) has the molecular formula C172H203Cl10F3N34O22 and a molecular weight of 3510.26 g/mol. Its IUPAC name is tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Nametert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
PubChem CID167691852
Molecular FormulaC172H203Cl10F3N34O22
Molecular Weight3510.26 g/mol
Exact Mass3503.26
IUPAC Nametert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide
SMILESCC(C)NC(=O)C1C2C(CN1C(=O)OC(C)(C)C)C2(C)C.CC(C)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CC(C)NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1.CC(C)NC(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)NC(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.CC(C)NC(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)NC(=O)c1nc2ccccc2[nH]1.COc1c(Cl)ccc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12
InChIInChI=1S/C16H28N2O3.2C13H15ClN2O2.C13H16N2O2.2C12H12Cl2N2O.2C12H13ClN2O.C12H12F3N3O2.2C12H15N3O2.2C11H12ClN3O.C11H13N3O/c1-9(2)17-13(19)12-11-10(16(11,6)7)8-18(12)14(20)21-15(3,4)5;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-7(2)15-13(17)11-6-8-10(16-11)5-4-9(14)12(8)18-3;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)15-12(17)11-5-8-9(14)3-7(13)4-10(8)16-11;1-6(2)15-12(17)10-5-7-8(13)3-4-9(14)11(7)16-10;1-7(2)14-12(16)11-6-8-9(13)4-3-5-10(8)15-11;1-7(2)14-12(16)10-6-8-4-3-5-9(13)11(8)15-10;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15;2*1-7(2)13-12(16)11-14-8-5-4-6-9(17-3)10(8)15-11;1-6(2)13-11(16)10-14-8-4-3-7(12)5-9(8)15-10;1-6(2)13-11(16)10-14-8-5-3-4-7(12)9(8)15-10;1-7(2)12-11(15)10-13-8-5-3-4-6-9(8)14-10/h9-12H,8H2,1-7H3,(H,17,19);2*4-7,16H,1-3H3,(H,15,17);4-8,15H,1-3H3,(H,14,16);2*3-6,16H,1-2H3,(H,15,17);2*3-7,15H,1-2H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18);2*4-7H,1-3H3,(H,13,16)(H,14,15);2*3-6H,1-2H3,(H,13,16)(H,14,15);3-7H,1-2H3,(H,12,15)(H,13,14)
InChIKeyXBHUKMPUZSLBBL-UHFFFAOYSA-N
XLogP36.23
TPSA774.93 Ų
H-Bond Donors27
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003510.26
LogP ≤ 536.23
H-Bond Donors ≤ 527
H-Bond Acceptors ≤ 1028

Analyze tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The IUPAC name of tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide (CID 167691852) is tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The canonical SMILES for tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide is CC(C)NC(=O)C1C2C(CN1C(=O)OC(C)(C)C)C2(C)C.CC(C)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1.CC(C)NC(=O)c1cc2c(Cl)ccc(Cl)c2[nH]1.CC(C)NC(=O)c1cc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1cc2cccc(Cl)c2[nH]1.CC(C)NC(=O)c1nc2c(Cl)cccc2[nH]1.CC(C)NC(=O)c1nc2c(OC(F)(F)F)cccc2[nH]1.CC(C)NC(=O)c1nc2ccc(Cl)cc2[nH]1.CC(C)NC(=O)c1nc2ccccc2[nH]1.COc1c(Cl)ccc2[nH]c(C(=O)NC(C)C)cc12.COc1ccc(Cl)c2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12.COc1cccc2[nH]c(C(=O)NC(C)C)nc12.
What is the InChIKey of tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
The InChIKey is XBHUKMPUZSLBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3.2C13H15ClN2O2.C13H16N2O2.2C12H12Cl2N2O.2C12H13ClN2O.C12H12F3N3O2.2C12H15N3O2.2C11H12ClN3O.C11H13N3O/c1-9(2)17-13(19)12-11-10(16(11,6)7)8-18(12)14(20)21-15(3,4)5;1-7(2)15-13(17)10-6-8-11(18-3)5-4-9(14)12(8)16-10;1-7(2)15-13(17)11-6-8-10(16-11)5-4-9(14)12(8)18-3;1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-6(2)15-12(17)11-5-8-9(14)3-7(13)4-10(8)16-11;1-6(2)15-12(17)10-5-7-8(13)3-4-9(14)11(7)16-10;1-7(2)14-12(16)11-6-8-9(13)4-3-5-10(8)15-11;1-7(2)14-12(16)10-6-8-4-3-5-9(13)11(8)15-10;1-6(2)16-11(19)10-17-7-4-3-5-8(9(7)18-10)20-12(13,14)15;2*1-7(2)13-12(16)11-14-8-5-4-6-9(17-3)10(8)15-11;1-6(2)13-11(16)10-14-8-4-3-7(12)5-9(8)15-10;1-6(2)13-11(16)10-14-8-5-3-4-7(12)9(8)15-10;1-7(2)12-11(15)10-13-8-5-3-4-6-9(8)14-10/h9-12H,8H2,1-7H3,(H,17,19);2*4-7,16H,1-3H3,(H,15,17);4-8,15H,1-3H3,(H,14,16);2*3-6,16H,1-2H3,(H,15,17);2*3-7,15H,1-2H3,(H,14,16);3-6H,1-2H3,(H,16,19)(H,17,18);2*4-7H,1-3H3,(H,13,16)(H,14,15);2*3-6H,1-2H3,(H,13,16)(H,14,15);3-7H,1-2H3,(H,12,15)(H,13,14).
What are the key properties of tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide?
tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide has a molecular weight of 3510.26 g/mol, XLogP of 36.23, 34 rotatable bonds, 27 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6,6-dimethyl-2-(propan-2-ylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylate;5-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;4-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;6-chloro-N-propan-2-yl-1H-benzimidazole-2-carboxamide;4-chloro-N-propan-2-yl-1H-indole-2-carboxamide;7-chloro-N-propan-2-yl-1H-indole-2-carboxamide;4,6-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;4,7-dichloro-N-propan-2-yl-1H-indole-2-carboxamide;bis(4-methoxy-N-propan-2-yl-1H-benzimidazole-2-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-yl-1H-benzimidazole-2-carboxamide;N-propan-2-yl-4-(trifluoromethoxy)-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 167691852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).