N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxamide

HCID 58266972
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Basic information

Standard SMILES
Cc1c(NC(=O)c2cc3c(s2)C2CCC3C2)cccc1-c1cn(C)c(=O)c(Nc2ccc(C3C(=O)N(C)CCN3C)cc2)n1
InChIKey
CREXPWIATHWKCS-UHFFFAOYSA-N
Molecular formula
C34H36N6O3S
Average molar mass
608.8 g/mol
Monoisotopic mass
608.25696021

Names & identifiers

Preferred name
N-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxamide
IUPAC
N-[3-[6-[4-(1,4-dimethyl-3-oxopiperazin-2-yl)anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]-3-thiatricyclo[5.2.1.02,6]deca-2(6),4-diene-4-carboxamide

Names & synonyms

SCHEMBL1781614CREXPWIATHWKCS-UHFFFAOYSA-NN-(3-(6-(4-(1,4-Dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydro-4,7-methanobenzo[b]thiophene-2-carboxamide

Database identifiers

PubChem CID
58266972

Properties

Computed structural properties

XLogP
4
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
44

Related reactions

2 records
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Compound notes

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