N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide

C151H178FN39O9S4 — CID 167668111

About N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide

N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 167668111) has the molecular formula C151H178FN39O9S4 and a molecular weight of 2830.61 g/mol. Its IUPAC name is N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide
• PubChem CID: 167668111
• Molecular Formula: C151H178FN39O9S4
• Molecular Weight: 2830.61 g/mol
• Exact Mass: 2828.35
• IUPAC Name: N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide
• SMILES: C=C(CNC(=O)CCc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NC.CS(=O)(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.CS(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.CSCc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.NS(=O)(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NCc1ccccc1.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NCc1cccnc1.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)Nc1ccc(F)cc1
• InChI: InChI=1S/C23H25N5O.C22H22FN5O.C22H24N6O.C21H28N6O.C16H20N4O2S.C16H20N4OS.C16H20N4S.C15H19N5O2S/c29-21(24-12-16-7-3-1-4-8-16)11-18-13-25-23-22(18)28-15-19(27-20(28)14-26-23)17-9-5-2-6-10-17;23-16-6-8-17(9-7-16)26-20(29)10-15-11-24-22-21(15)28-13-18(27-19(28)12-25-22)14-4-2-1-3-5-14;29-20(24-11-15-5-4-8-23-10-15)9-17-12-25-22-21(17)28-14-18(27-19(28)13-26-22)16-6-2-1-3-7-16;1-14(22-2)10-23-19(28)9-8-16-11-24-21-20(16)27-13-17(26-18(27)12-25-21)15-6-4-3-5-7-15;1-23(21,22)10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;1-22(21)10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;1-21-10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;16-23(21,22)9-11-6-17-15-14(11)20-8-12(19-13(20)7-18-15)10-4-2-1-3-5-10/h1,3-4,7-8,13-15,17,25H,2,5-6,9-12H2,(H,24,29);6-9,11-14,24H,1-5,10H2,(H,26,29);4-5,8,10,12-14,16,25H,1-3,6-7,9,11H2,(H,24,29);11-13,15,22,24H,1,3-10H2,2H3,(H,23,28);7-9,11,17H,2-6,10H2,1H3;7-9,11,17H,2-6,10H2,1H3;7-9,11,17H,2-6,10H2,1H3;6-8,10,17H,1-5,9H2,(H2,16,21,22)
• InChIKey: SXWNSNWDQRERHH-UHFFFAOYSA-N
• XLogP: 27.36
• TPSA: 620.53 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 36
• Rotatable Bonds: 33
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2830.61
LogP ≤ 5	27.36
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide?

The IUPAC name of N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide (CID 167668111) is N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide.

What is the SMILES notation for N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide?

The canonical SMILES for N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide is C=C(CNC(=O)CCc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NC.CS(=O)(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.CS(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.CSCc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.NS(=O)(=O)Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NCc1ccccc1.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)NCc1cccnc1.O=C(Cc1c[nH]c2ncc3nc(C4CCCCC4)cn3c12)Nc1ccc(F)cc1.

What is the InChIKey of N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide?

The InChIKey is SXWNSNWDQRERHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O.C22H22FN5O.C22H24N6O.C21H28N6O.C16H20N4O2S.C16H20N4OS.C16H20N4S.C15H19N5O2S/c29-21(24-12-16-7-3-1-4-8-16)11-18-13-25-23-22(18)28-15-19(27-20(28)14-26-23)17-9-5-2-6-10-17;23-16-6-8-17(9-7-16)26-20(29)10-15-11-24-22-21(15)28-13-18(27-19(28)12-25-22)14-4-2-1-3-5-14;29-20(24-11-15-5-4-8-23-10-15)9-17-12-25-22-21(17)28-14-18(27-19(28)13-26-22)16-6-2-1-3-7-16;1-14(22-2)10-23-19(28)9-8-16-11-24-21-20(16)27-13-17(26-18(27)12-25-21)15-6-4-3-5-7-15;1-23(21,22)10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;1-22(21)10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;1-21-10-12-7-17-16-15(12)20-9-13(19-14(20)8-18-16)11-5-3-2-4-6-11;16-23(21,22)9-11-6-17-15-14(11)20-8-12(19-13(20)7-18-15)10-4-2-1-3-5-10/h1,3-4,7-8,13-15,17,25H,2,5-6,9-12H2,(H,24,29);6-9,11-14,24H,1-5,10H2,(H,26,29);4-5,8,10,12-14,16,25H,1-3,6-7,9,11H2,(H,24,29);11-13,15,22,24H,1,3-10H2,2H3,(H,23,28);7-9,11,17H,2-6,10H2,1H3;7-9,11,17H,2-6,10H2,1H3;7-9,11,17H,2-6,10H2,1H3;6-8,10,17H,1-5,9H2,(H2,16,21,22).

What are the key properties of N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide?

N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 2830.61 g/mol, XLogP of 27.36, 33 rotatable bonds, 14 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)acetamide;11-cyclohexyl-3-(methylsulfanylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfinylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;11-cyclohexyl-3-(methylsulfonylmethyl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(4-fluorophenyl)acetamide;(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)methanesulfonamide;3-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-[2-(methylamino)prop-2-enyl]propanamide;2-(11-cyclohexyl-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-3-yl)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 167668111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).