N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

HCID 9828909

Notes Reactions

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Basic information

Standard SMILES: Cc1ccc(N2CCN(C)CC2)c2c1CCC(NC(=O)c1ccc(N3CCOCC3)cc1)C2
InChIKey: IHDRUIHIJWCTIY-UHFFFAOYSA-N
Molecular formula: C27H36N4O2
Average molar mass: 448.6 g/mol

Names & identifiers

Preferred name: N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide
IUPAC: N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

Names & synonyms

709026-07-3SCHEMBL5106853EBC-12233EN300-27694500N-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(morpholin-4-yl)benzamideN-[5-methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide

Database identifiers

PubChem CID: 9828909

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 48.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 33
Formal charge: 0
Complexity: 638

Related reactions

5 records

New reaction record

HRID 109115As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 287593As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1116040As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1230700As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2130395As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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