1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine

C85H120N20S5 — CID 159239490

IUPAC1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine
SMILES[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4([2H])[2H])CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4)CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)CCC4)CC1.[2H]C1([2H])CC([2H])([2H])c2c1sc1ncnc(NC3CCC(N(C)C([2H])([2H])[2H])CC3)c21.[2H]C1([2H])c2sc3ncnc(NC4CCC(N(C)C)CC4)c3c2C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/5C17H24N4S/c5*1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h5*10-12H,3-9H2,1-2H3,(H,18,19,20)/i1D3,3D2,4D2,5D2;3D2,4D2,5D2;1D3,4D2,5D2;1D3,3D2,4D2;1D3
InChIKeyKTWYFPUSJFIPNT-PQHHSVQZSA-N
MW1614.57 g/mol
LogP17.32
Rot. Bonds19

About 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine

1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine (PubChem CID 159239490) has the molecular formula C85H120N20S5 and a molecular weight of 1614.57 g/mol. Its IUPAC name is 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine
PubChem CID159239490
Molecular FormulaC85H120N20S5
Molecular Weight1614.57 g/mol
Exact Mass1613.06
IUPAC Name1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine
SMILES[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4([2H])[2H])CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4)CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)CCC4)CC1.[2H]C1([2H])CC([2H])([2H])c2c1sc1ncnc(NC3CCC(N(C)C([2H])([2H])[2H])CC3)c21.[2H]C1([2H])c2sc3ncnc(NC4CCC(N(C)C)CC4)c3c2C([2H])([2H])C1([2H])[2H]
InChIInChI=1S/5C17H24N4S/c5*1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h5*10-12H,3-9H2,1-2H3,(H,18,19,20)/i1D3,3D2,4D2,5D2;3D2,4D2,5D2;1D3,4D2,5D2;1D3,3D2,4D2;1D3
InChIKeyKTWYFPUSJFIPNT-PQHHSVQZSA-N
XLogP17.32
TPSA205.25 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds19
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001614.57
LogP ≤ 517.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Analyze 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine (CID 159239490) is 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine is [2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4([2H])[2H])CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)C([2H])([2H])C([2H])([2H])C4)CC1.[2H]C([2H])([2H])N(C)C1CCC(Nc2ncnc3sc4c(c23)CCC4)CC1.[2H]C1([2H])CC([2H])([2H])c2c1sc1ncnc(NC3CCC(N(C)C([2H])([2H])[2H])CC3)c21.[2H]C1([2H])c2sc3ncnc(NC4CCC(N(C)C)CC4)c3c2C([2H])([2H])C1([2H])[2H].
What is the InChIKey of 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine?
The InChIKey is KTWYFPUSJFIPNT-PQHHSVQZSA-N. The full InChI is InChI=1S/5C17H24N4S/c5*1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h5*10-12H,3-9H2,1-2H3,(H,18,19,20)/i1D3,3D2,4D2,5D2;3D2,4D2,5D2;1D3,4D2,5D2;1D3,3D2,4D2;1D3.
What are the key properties of 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine?
1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine has a molecular weight of 1614.57 g/mol, XLogP of 17.32, 19 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N,4-N-dimethylcyclohexane-1,4-diamine;1-N-(3,3,4,4,5,5-hexadeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-methyl-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,4,4-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(3,3,5,5-tetradeuterio-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine;4-N-methyl-1-N-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl)-4-N-(trideuteriomethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 159239490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).