Basic information
- Standard SMILES
COC(=O)c1ccc2cc(-c3nc(NCCCN4CCN(C)CC4)ncc3C)sc2c1- InChIKey
MOYOANKQRNLYLF-UHFFFAOYSA-N- Molecular formula
- C23H29N5O2S
- Average molar mass
- 439.6 g/mol
Names & identifiers
- Preferred name
- 2-{5-Methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester
- IUPAC
- methyl 2-[5-methyl-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophene-6-carboxylate
Names & synonyms
SCHEMBL3964488MOYOANKQRNLYLF-UHFFFAOYSA-N2-{5-methyl-2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophene-6-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 68857060
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 588
Related reactions
3 records
Compound notes
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