4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate

C135H163N9O19S3 — CID 172947230

About 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate

4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate (PubChem CID 172947230) has the molecular formula C135H163N9O19S3 and a molecular weight of 2312.03 g/mol. Its IUPAC name is 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate.

Molecular Properties

• Compound Name: 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
• PubChem CID: 172947230
• Molecular Formula: C135H163N9O19S3
• Molecular Weight: 2312.03 g/mol
• Exact Mass: 2310.12
• IUPAC Name: 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
• SMILES: C=CC(=O)OCCCCCCOc1ccc(CCC(=O)Oc2ccc(C3CCC(CCC)CC3)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C4CCC(CCC)CC4)cc3/C=N/Nc3nc4ccccc4s3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C4CCC(CCCCC)CC4)cc3/C=N/Nc3nc4ccccc4s3)CC2)cc1
• InChI: InChI=1S/C48H59N3O7S.C46H55N3O7S.C41H49N3O5S/c1-3-5-8-13-34-16-18-35(19-17-34)38-24-29-43(39(32-38)33-49-51-48-50-42-14-9-10-15-44(42)59-48)58-47(54)37-22-20-36(21-23-37)46(53)57-41-27-25-40(26-28-41)55-30-11-6-7-12-31-56-45(52)4-2;1-3-11-32-14-16-33(17-15-32)36-22-27-41(37(30-36)31-47-49-46-48-40-12-7-8-13-42(40)57-46)56-45(52)35-20-18-34(19-21-35)44(51)55-39-25-23-38(24-26-39)53-28-9-5-6-10-29-54-43(50)4-2;1-3-11-30-14-19-32(20-15-30)33-21-24-37(34(28-33)29-42-44-41-43-36-12-7-8-13-38(36)50-41)49-40(46)25-18-31-16-22-35(23-17-31)47-26-9-5-6-10-27-48-39(45)4-2/h4,9-10,14-15,24-29,32-37H,2-3,5-8,11-13,16-23,30-31H2,1H3,(H,50,51);4,7-8,12-13,22-27,30-35H,2-3,5-6,9-11,14-21,28-29H2,1H3,(H,48,49);4,7-8,12-13,16-17,21-24,28-30,32H,2-3,5-6,9-11,14-15,18-20,25-27H2,1H3,(H,43,44)/b49-33+;47-31+;42-29+
• InChIKey: PLKJFWYKIYROMM-APVVXSBISA-N
• XLogP: 32.41
• TPSA: 349.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 59
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2312.03
LogP ≤ 5	32.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate?

The IUPAC name of 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate (CID 172947230) is 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate.

What is the SMILES notation for 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate?

The canonical SMILES for 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate is C=CC(=O)OCCCCCCOc1ccc(CCC(=O)Oc2ccc(C3CCC(CCC)CC3)cc2/C=N/Nc2nc3ccccc3s2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C4CCC(CCC)CC4)cc3/C=N/Nc3nc4ccccc4s3)CC2)cc1.C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(C4CCC(CCCCC)CC4)cc3/C=N/Nc3nc4ccccc4s3)CC2)cc1.

What is the InChIKey of 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate?

The InChIKey is PLKJFWYKIYROMM-APVVXSBISA-N. The full InChI is InChI=1S/C48H59N3O7S.C46H55N3O7S.C41H49N3O5S/c1-3-5-8-13-34-16-18-35(19-17-34)38-24-29-43(39(32-38)33-49-51-48-50-42-14-9-10-15-44(42)59-48)58-47(54)37-22-20-36(21-23-37)46(53)57-41-27-25-40(26-28-41)55-30-11-6-7-12-31-56-45(52)4-2;1-3-11-32-14-16-33(17-15-32)36-22-27-41(37(30-36)31-47-49-46-48-40-12-7-8-13-42(40)57-46)56-45(52)35-20-18-34(19-21-35)44(51)55-39-25-23-38(24-26-39)53-28-9-5-6-10-29-54-43(50)4-2;1-3-11-30-14-19-32(20-15-30)33-21-24-37(34(28-33)29-42-44-41-43-36-12-7-8-13-38(36)50-41)49-40(46)25-18-31-16-22-35(23-17-31)47-26-9-5-6-10-27-48-39(45)4-2/h4,9-10,14-15,24-29,32-37H,2-3,5-8,11-13,16-23,30-31H2,1H3,(H,50,51);4,7-8,12-13,22-27,30-35H,2-3,5-6,9-11,14-21,28-29H2,1H3,(H,48,49);4,7-8,12-13,16-17,21-24,28-30,32H,2-3,5-6,9-11,14-15,18-20,25-27H2,1H3,(H,43,44)/b49-33+;47-31+;42-29+.

What are the key properties of 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate?

4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate has a molecular weight of 2312.03 g/mol, XLogP of 32.41, 59 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-pentylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;4-O-[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 1-O-[4-(6-prop-2-enoyloxyhexoxy)phenyl] cyclohexane-1,4-dicarboxylate;[2-[(E)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]-4-(4-propylcyclohexyl)phenyl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate is sourced from PubChem (CID 172947230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).