2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate

C122H174N28O5S6 — CID 159314641

About 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate

2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate (PubChem CID 159314641) has the molecular formula C122H174N28O5S6 and a molecular weight of 2305.33 g/mol. Its IUPAC name is 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate.

Molecular Properties

• Compound Name: 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate
• PubChem CID: 159314641
• Molecular Formula: C122H174N28O5S6
• Molecular Weight: 2305.33 g/mol
• Exact Mass: 2303.25
• IUPAC Name: 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate
• SMILES: CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC(=O)N2CCCC2)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC(N)=O)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CCO)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CN2CCCC2)CC4)CC1.COC(=O)CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.[C-]#[N+]CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21
• InChI: InChI=1S/C23H33N5OS.C22H33N5S.C20H28N4O2S.C19H27N5OS.C19H25N5S.C19H28N4OS/c1-27(2)17-8-6-16(7-9-17)26-22-21-20-15(13-19(29)28-11-3-4-12-28)5-10-18(20)30-23(21)25-14-24-22;1-26(2)17-8-6-16(7-9-17)25-21-20-19-15(13-27-11-3-4-12-27)5-10-18(19)28-22(20)24-14-23-21;1-24(2)14-7-5-13(6-8-14)23-19-18-17-12(10-16(25)26-3)4-9-15(17)27-20(18)22-11-21-19;1-24(2)13-6-4-12(5-7-13)23-18-17-16-11(9-15(20)25)3-8-14(16)26-19(17)22-10-21-18;1-20-10-12-4-9-15-16(12)17-18(21-11-22-19(17)25-15)23-13-5-7-14(8-6-13)24(2)3;1-23(2)14-6-4-13(5-7-14)22-18-17-16-12(9-10-24)3-8-15(16)25-19(17)21-11-20-18/h14-17H,3-13H2,1-2H3,(H,24,25,26);14-17H,3-13H2,1-2H3,(H,23,24,25);11-14H,4-10H2,1-3H3,(H,21,22,23);10-13H,3-9H2,1-2H3,(H2,20,25)(H,21,22,23);11-14H,4-10H2,2-3H3,(H,21,22,23);11-14,24H,3-10H2,1-2H3,(H,20,21,22)
• InChIKey: LCZDUECWBOXKPA-UHFFFAOYSA-N
• XLogP: 21.88
• TPSA: 363.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2305.33
LogP ≤ 5	21.88
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate?

The IUPAC name of 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate (CID 159314641) is 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate.

What is the SMILES notation for 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate?

The canonical SMILES for 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate is CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC(=O)N2CCCC2)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CC(N)=O)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CCO)CC4)CC1.CN(C)C1CCC(Nc2ncnc3sc4c(c23)C(CN2CCCC2)CC4)CC1.COC(=O)CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.[C-]#[N+]CC1CCc2sc3ncnc(NC4CCC(N(C)C)CC4)c3c21.

What is the InChIKey of 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate?

The InChIKey is LCZDUECWBOXKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5OS.C22H33N5S.C20H28N4O2S.C19H27N5OS.C19H25N5S.C19H28N4OS/c1-27(2)17-8-6-16(7-9-17)26-22-21-20-15(13-19(29)28-11-3-4-12-28)5-10-18(20)30-23(21)25-14-24-22;1-26(2)17-8-6-16(7-9-17)25-21-20-19-15(13-27-11-3-4-12-27)5-10-18(19)28-22(20)24-14-23-21;1-24(2)14-7-5-13(6-8-14)23-19-18-17-12(10-16(25)26-3)4-9-15(17)27-20(18)22-11-21-19;1-24(2)13-6-4-12(5-7-13)23-18-17-16-11(9-15(20)25)3-8-14(16)26-19(17)22-10-21-18;1-20-10-12-4-9-15-16(12)17-18(21-11-22-19(17)25-15)23-13-5-7-14(8-6-13)24(2)3;1-23(2)14-6-4-13(5-7-14)22-18-17-16-12(9-10-24)3-8-15(16)25-19(17)21-11-20-18/h14-17H,3-13H2,1-2H3,(H,24,25,26);14-17H,3-13H2,1-2H3,(H,23,24,25);11-14H,4-10H2,1-3H3,(H,21,22,23);10-13H,3-9H2,1-2H3,(H2,20,25)(H,21,22,23);11-14H,4-10H2,2-3H3,(H,21,22,23);11-14,24H,3-10H2,1-2H3,(H,20,21,22).

What are the key properties of 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate?

2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate has a molecular weight of 2305.33 g/mol, XLogP of 21.88, 29 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetamide;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]ethanol;2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]-1-pyrrolidin-1-ylethanone;4-N,4-N-dimethyl-1-N-[3-(pyrrolidin-1-ylmethyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]cyclohexane-1,4-diamine;1-N-[3-(isocyanomethyl)-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;methyl 2-[12-[[4-(dimethylamino)cyclohexyl]amino]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-3-yl]acetate is sourced from PubChem (CID 159314641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).