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

C35H36Cl2N10O6 — CID 24764868

IUPAC2-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
SMILESCOCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C35H36Cl2N10O6/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/h2-10,17,19,21,28H,11-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49)/t28-/m0/s1
InChIKeyOZGHCMICLFVUEE-NDEPHWFRSA-N
MW763.64 g/mol
LogP4.81
Rot. Bonds13

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-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 (PubChem CID 24764868) has the molecular formula C35H36Cl2N10O6 and a molecular weight of 763.64 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.

Molecular Properties

Compound Name2-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
PubChem CID24764868
Molecular FormulaC35H36Cl2N10O6
Molecular Weight763.64 g/mol
Exact Mass762.22
IUPAC Name2-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
SMILESCOCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1
InChIInChI=1S/C35H36Cl2N10O6/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/h2-10,17,19,21,28H,11-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49)/t28-/m0/s1
InChIKeyOZGHCMICLFVUEE-NDEPHWFRSA-N
XLogP4.81
TPSA190.51 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.64
LogP ≤ 54.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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?
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 (CID 24764868) 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.
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?
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 is COCCOC(=O)Nc1ccc(-c2nc([C@H](Cc3cccc(C(=O)N4CCOCC4)c3)NC(=O)NCc3cc(Cl)ccc3-n3cnnn3)[nH]c2Cl)cc1.
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?
The InChIKey is OZGHCMICLFVUEE-NDEPHWFRSA-N. The full InChI is InChI=1S/C35H36Cl2N10O6/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/h2-10,17,19,21,28H,11-16,18,20H2,1H3,(H,40,50)(H,42,43)(H2,38,41,49)/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-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 has a molecular weight of 763.64 g/mol, XLogP of 4.81, 13 rotatable bonds, 4 hydrogen bond donors, and 11 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 is sourced from PubChem (CID 24764868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).