propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)

C143H166F3N21O18 — CID 159498248

IUPACpropan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)
SMILESCC(C)OC(=O)C1=CN(C(=O)N2CCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ncccc21.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F
InChIInChI=1S/2C25H26FN3O3.C24H24FN3O3.C24H32N4O3.C23H30N4O3.C22H28N4O3/c2*1-14(2)32-24(31)18-12-29(23(30)16-8-9-19(26)15(3)11-16)13-25(4,5)20-17-7-6-10-27-22(17)28-21(18)20;1-14(2)31-23(30)18-12-28(22(29)15-7-9-16(25)10-8-15)13-24(3,4)19-17-6-5-11-26-21(17)27-20(18)19;1-16(2)31-22(29)18-14-28(23(30)27-12-7-5-6-8-13-27)15-24(3,4)19-17-10-9-11-25-21(17)26-20(18)19;1-15(2)30-21(28)17-13-27(22(29)26-11-6-5-7-12-26)14-23(3,4)18-16-9-8-10-24-20(16)25-19(17)18;1-14(2)29-20(27)16-12-26(21(28)25-10-5-6-11-25)13-22(3,4)17-15-8-7-9-23-19(15)24-18(16)17/h2*6-12,14H,13H2,1-5H3,(H,27,28);5-12,14H,13H2,1-4H3,(H,26,27);9-11,14,16H,5-8,12-13,15H2,1-4H3,(H,25,26);8-10,13,15H,5-7,11-12,14H2,1-4H3,(H,24,25);7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,23,24)
InChIKeyLZAYMWJTJKPMOU-UHFFFAOYSA-N
MW2524.02 g/mol
LogP26.06
Rot. Bonds15

About propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)

propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) (PubChem CID 159498248) has the molecular formula C143H166F3N21O18 and a molecular weight of 2524.02 g/mol. Its IUPAC name is propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate).

Molecular Properties

Compound Namepropan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)
PubChem CID159498248
Molecular FormulaC143H166F3N21O18
Molecular Weight2524.02 g/mol
Exact Mass2522.27
IUPAC Namepropan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)
SMILESCC(C)OC(=O)C1=CN(C(=O)N2CCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ncccc21.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F
InChIInChI=1S/2C25H26FN3O3.C24H24FN3O3.C24H32N4O3.C23H30N4O3.C22H28N4O3/c2*1-14(2)32-24(31)18-12-29(23(30)16-8-9-19(26)15(3)11-16)13-25(4,5)20-17-7-6-10-27-22(17)28-21(18)20;1-14(2)31-23(30)18-12-28(22(29)15-7-9-16(25)10-8-15)13-24(3,4)19-17-6-5-11-26-21(17)27-20(18)19;1-16(2)31-22(29)18-14-28(23(30)27-12-7-5-6-8-13-27)15-24(3,4)19-17-10-9-11-25-21(17)26-20(18)19;1-15(2)30-21(28)17-13-27(22(29)26-11-6-5-7-12-26)14-23(3,4)18-16-9-8-10-24-20(16)25-19(17)18;1-14(2)29-20(27)16-12-26(21(28)25-10-5-6-11-25)13-22(3,4)17-15-8-7-9-23-19(15)24-18(16)17/h2*6-12,14H,13H2,1-5H3,(H,27,28);5-12,14H,13H2,1-4H3,(H,26,27);9-11,14,16H,5-8,12-13,15H2,1-4H3,(H,25,26);8-10,13,15H,5-7,11-12,14H2,1-4H3,(H,24,25);7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,23,24)
InChIKeyLZAYMWJTJKPMOU-UHFFFAOYSA-N
XLogP26.06
TPSA461.46 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002524.02
LogP ≤ 526.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) with MolForge

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)?
The IUPAC name of propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) (CID 159498248) is propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate).
What is the SMILES notation for propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)?
The canonical SMILES for propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) is CC(C)OC(=O)C1=CN(C(=O)N2CCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)N2CCCCCC2)CC(C)(C)c2c1[nH]c1ncccc21.CC(C)OC(=O)C1=CN(C(=O)c2ccc(F)cc2)CC(C)(C)c2c1[nH]c1ncccc21.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F.Cc1cc(C(=O)N2C=C(C(=O)OC(C)C)c3[nH]c4ncccc4c3C(C)(C)C2)ccc1F.
What is the InChIKey of propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)?
The InChIKey is LZAYMWJTJKPMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H26FN3O3.C24H24FN3O3.C24H32N4O3.C23H30N4O3.C22H28N4O3/c2*1-14(2)32-24(31)18-12-29(23(30)16-8-9-19(26)15(3)11-16)13-25(4,5)20-17-7-6-10-27-22(17)28-21(18)20;1-14(2)31-23(30)18-12-28(22(29)15-7-9-16(25)10-8-15)13-24(3,4)19-17-6-5-11-26-21(17)27-20(18)19;1-16(2)31-22(29)18-14-28(23(30)27-12-7-5-6-8-13-27)15-24(3,4)19-17-10-9-11-25-21(17)26-20(18)19;1-15(2)30-21(28)17-13-27(22(29)26-11-6-5-7-12-26)14-23(3,4)18-16-9-8-10-24-20(16)25-19(17)18;1-14(2)29-20(27)16-12-26(21(28)25-10-5-6-11-25)13-22(3,4)17-15-8-7-9-23-19(15)24-18(16)17/h2*6-12,14H,13H2,1-5H3,(H,27,28);5-12,14H,13H2,1-4H3,(H,26,27);9-11,14,16H,5-8,12-13,15H2,1-4H3,(H,25,26);8-10,13,15H,5-7,11-12,14H2,1-4H3,(H,24,25);7-9,12,14H,5-6,10-11,13H2,1-4H3,(H,23,24).
What are the key properties of propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate)?
propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) has a molecular weight of 2524.02 g/mol, XLogP of 26.06, 15 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 12-(azepane-1-carbonyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(piperidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 14,14-dimethyl-12-(pyrrolidine-1-carbonyl)-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;propan-2-yl 12-(4-fluorobenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate;bis(propan-2-yl 12-(4-fluoro-3-methylbenzoyl)-14,14-dimethyl-6,8,12-triazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5,10-pentaene-10-carboxylate) is sourced from PubChem (CID 159498248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).