[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

C129H141F15N28S10 — CID 167537807

IUPAC[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCc1ccc(C)c(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cc(C)ccc4C)CN3)NC2)c1.FC(F)(F)c1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(C(F)(F)F)cc4)CN3)NC2)cc1.Fc1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(F)c(F)c4)CN3)NC2)cc1F.Fc1cccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cccc(F)c4)CN3)NC2)c1.[H]/N=C(\N)SCc1ccc(C(F)(F)F)cc1CS/C(N)=N/[H]
InChIInChI=1S/C32H40N6S2.C30H30F6N6S2.C28H28F4N6S2.C28H30F2N6S2.C11H13F3N4S2/c1-23-9-11-25(3)29(13-23)15-37-19-33-31(34-20-37)39-17-27-7-5-6-8-28(27)18-40-32-35-21-38(22-36-32)16-30-14-24(2)10-12-26(30)4;31-29(32,33)25-9-5-21(6-10-25)13-41-17-37-27(38-18-41)43-15-23-3-1-2-4-24(23)16-44-28-39-19-42(20-40-28)14-22-7-11-26(12-8-22)30(34,35)36;29-23-7-5-19(9-25(23)31)11-37-15-33-27(34-16-37)39-13-21-3-1-2-4-22(21)14-40-28-35-17-38(18-36-28)12-20-6-8-24(30)26(32)10-20;29-25-9-3-5-21(11-25)13-35-17-31-27(32-18-35)37-15-23-7-1-2-8-24(23)16-38-28-33-19-36(20-34-28)14-22-6-4-10-26(30)12-22;12-11(13,14)8-2-1-6(4-19-9(15)16)7(3-8)5-20-10(17)18/h5-14H,15-22H2,1-4H3,(H,33,34)(H,35,36);1-12H,13-20H2,(H,37,38)(H,39,40);1-10H,11-18H2,(H,33,34)(H,35,36);1-12H,13-20H2,(H,31,32)(H,33,34);1-3H,4-5H2,(H3,15,16)(H3,17,18)
InChIKeyATWNIWQEONSWJZ-UHFFFAOYSA-N
MW2689.38 g/mol
LogP26.69
Rot. Bonds36

About [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine

[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (PubChem CID 167537807) has the molecular formula C129H141F15N28S10 and a molecular weight of 2689.38 g/mol. Its IUPAC name is [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.

Molecular Properties

Compound Name[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
PubChem CID167537807
Molecular FormulaC129H141F15N28S10
Molecular Weight2689.38 g/mol
Exact Mass2686.89
IUPAC Name[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine
SMILESCc1ccc(C)c(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cc(C)ccc4C)CN3)NC2)c1.FC(F)(F)c1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(C(F)(F)F)cc4)CN3)NC2)cc1.Fc1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(F)c(F)c4)CN3)NC2)cc1F.Fc1cccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cccc(F)c4)CN3)NC2)c1.[H]/N=C(\N)SCc1ccc(C(F)(F)F)cc1CS/C(N)=N/[H]
InChIInChI=1S/C32H40N6S2.C30H30F6N6S2.C28H28F4N6S2.C28H30F2N6S2.C11H13F3N4S2/c1-23-9-11-25(3)29(13-23)15-37-19-33-31(34-20-37)39-17-27-7-5-6-8-28(27)18-40-32-35-21-38(22-36-32)16-30-14-24(2)10-12-26(30)4;31-29(32,33)25-9-5-21(6-10-25)13-41-17-37-27(38-18-41)43-15-23-3-1-2-4-24(23)16-44-28-39-19-42(20-40-28)14-22-7-11-26(12-8-22)30(34,35)36;29-23-7-5-19(9-25(23)31)11-37-15-33-27(34-16-37)39-13-21-3-1-2-4-22(21)14-40-28-35-17-38(18-36-28)12-20-6-8-24(30)26(32)10-20;29-25-9-3-5-21(11-25)13-35-17-31-27(32-18-35)37-15-23-7-1-2-8-24(23)16-38-28-33-19-36(20-34-28)14-22-6-4-10-26(30)12-22;12-11(13,14)8-2-1-6(4-19-9(15)16)7(3-8)5-20-10(17)18/h5-14H,15-22H2,1-4H3,(H,33,34)(H,35,36);1-12H,13-20H2,(H,37,38)(H,39,40);1-10H,11-18H2,(H,33,34)(H,35,36);1-12H,13-20H2,(H,31,32)(H,33,34);1-3H,4-5H2,(H3,15,16)(H3,17,18)
InChIKeyATWNIWQEONSWJZ-UHFFFAOYSA-N
XLogP26.69
TPSA320.78 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds36
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002689.38
LogP ≤ 526.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The IUPAC name of [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine (CID 167537807) is [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine.
What is the SMILES notation for [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The canonical SMILES for [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is Cc1ccc(C)c(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cc(C)ccc4C)CN3)NC2)c1.FC(F)(F)c1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(C(F)(F)F)cc4)CN3)NC2)cc1.Fc1ccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4ccc(F)c(F)c4)CN3)NC2)cc1F.Fc1cccc(CN2CN=C(SCc3ccccc3CSC3=NCN(Cc4cccc(F)c4)CN3)NC2)c1.[H]/N=C(\N)SCc1ccc(C(F)(F)F)cc1CS/C(N)=N/[H].
What is the InChIKey of [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
The InChIKey is ATWNIWQEONSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N6S2.C30H30F6N6S2.C28H28F4N6S2.C28H30F2N6S2.C11H13F3N4S2/c1-23-9-11-25(3)29(13-23)15-37-19-33-31(34-20-37)39-17-27-7-5-6-8-28(27)18-40-32-35-21-38(22-36-32)16-30-14-24(2)10-12-26(30)4;31-29(32,33)25-9-5-21(6-10-25)13-41-17-37-27(38-18-41)43-15-23-3-1-2-4-24(23)16-44-28-39-19-42(20-40-28)14-22-7-11-26(12-8-22)30(34,35)36;29-23-7-5-19(9-25(23)31)11-37-15-33-27(34-16-37)39-13-21-3-1-2-4-22(21)14-40-28-35-17-38(18-36-28)12-20-6-8-24(30)26(32)10-20;29-25-9-3-5-21(11-25)13-35-17-31-27(32-18-35)37-15-23-7-1-2-8-24(23)16-38-28-33-19-36(20-34-28)14-22-6-4-10-26(30)12-22;12-11(13,14)8-2-1-6(4-19-9(15)16)7(3-8)5-20-10(17)18/h5-14H,15-22H2,1-4H3,(H,33,34)(H,35,36);1-12H,13-20H2,(H,37,38)(H,39,40);1-10H,11-18H2,(H,33,34)(H,35,36);1-12H,13-20H2,(H,31,32)(H,33,34);1-3H,4-5H2,(H3,15,16)(H3,17,18).
What are the key properties of [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine?
[2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine has a molecular weight of 2689.38 g/mol, XLogP of 26.69, 36 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamimidoylsulfanylmethyl)-4-(trifluoromethyl)phenyl]methyl carbamimidothioate;3-[(3,4-difluorophenyl)methyl]-6-[[2-[[3-[(3,4-difluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(2,5-dimethylphenyl)methyl]-6-[[2-[[3-[(2,5-dimethylphenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[(3-fluorophenyl)methyl]-6-[[2-[[3-[(3-fluorophenyl)methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine;3-[[4-(trifluoromethyl)phenyl]methyl]-6-[[2-[[3-[[4-(trifluoromethyl)phenyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]sulfanylmethyl]phenyl]methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine is sourced from PubChem (CID 167537807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).