2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid

C37H37Cl2F3N10O8 — CID 24764867

About 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid

2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid (PubChem CID 24764867) has the molecular formula C37H37Cl2F3N10O8 and a molecular weight of 877.66 g/mol. Its IUPAC name is 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid
• PubChem CID: 24764867
• Molecular Formula: C37H37Cl2F3N10O8
• Molecular Weight: 877.66 g/mol
• Exact Mass: 876.21
• IUPAC Name: 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid
• SMILES: COCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C35H36Cl2N10O6.C2HF3O2/c1-51-15-16-53-35(50)40-27-8-5-23(6-9-27)30-31(37)43-32(42-30)28(18-22-3-2-4-24(17-22)33(48)46-11-13-52-14-12-46)41-34(49)38-20-25-19-26(36)7-10-29(25)47-21-39-44-45-47;3-2(4,5)1(6)7/h2-10,17,19,21,28H,11-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49);(H,6,7)/t28-;/m0./s1
• InChIKey: IZMMEMDATNNNFE-JCOPYZAKSA-N
• XLogP: 5.44
• TPSA: 227.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.66
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid?

The IUPAC name of 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid (CID 24764867) is 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid?

The canonical SMILES for 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid is COCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid?

The InChIKey is IZMMEMDATNNNFE-JCOPYZAKSA-N. The full InChI is InChI=1S/C35H36Cl2N10O6.C2HF3O2/c1-51-15-16-53-35(50)40-27-8-5-23(6-9-27)30-31(37)43-32(42-30)28(18-22-3-2-4-24(17-22)33(48)46-11-13-52-14-12-46)41-34(49)38-20-25-19-26(36)7-10-29(25)47-21-39-44-45-47;3-2(4,5)1(6)7/h2-10,17,19,21,28H,11-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49);(H,6,7)/t28-;/m0./s1.

What are the key properties of 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid?

2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid has a molecular weight of 877.66 g/mol, XLogP of 5.44, 13 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxyethyl N-[4-[5-chloro-2-[(1S)-1-[[5-chloro-2-(tetrazol-1-yl)phenyl]methylcarbamoylamino]-2-[3-(morpholine-4-carbonyl)phenyl]ethyl]-1H-imidazol-4-yl]phenyl]carbamate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 24764867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).