[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate

C23H21Cl2N3O2 — CID 69336754

IUPAC[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)30-23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
InChIKeyVAJVPKONKUOCHF-UHFFFAOYSA-N
MW442.35 g/mol
LogP6.54
Rot. Bonds4

About [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate

[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate (PubChem CID 69336754) has the molecular formula C23H21Cl2N3O2 and a molecular weight of 442.35 g/mol. Its IUPAC name is [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate.

Molecular Properties

Compound Name[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate
PubChem CID69336754
Molecular FormulaC23H21Cl2N3O2
Molecular Weight442.35 g/mol
Exact Mass441.10
IUPAC Name[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate
SMILESO=C(NC1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C23H21Cl2N3O2/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)30-23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29)
InChIKeyVAJVPKONKUOCHF-UHFFFAOYSA-N
XLogP6.54
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.35
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate?
The IUPAC name of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate (CID 69336754) is [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate.
What is the SMILES notation for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate?
The canonical SMILES for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate is O=C(NC1CCCCC1)Oc1cnc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate?
The InChIKey is VAJVPKONKUOCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2/c24-17-10-6-15(7-11-17)21-22(16-8-12-18(25)13-9-16)28-20(14-26-21)30-23(29)27-19-4-2-1-3-5-19/h6-14,19H,1-5H2,(H,27,29).
What are the key properties of [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate?
[5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate has a molecular weight of 442.35 g/mol, XLogP of 6.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(4-chlorophenyl)pyrazin-2-yl] N-cyclohexylcarbamate is sourced from PubChem (CID 69336754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).