Basic information
- Standard SMILES
Cc1cnc(NCCC2CCN(C(=O)OC(C)(C)C)CC2)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1- InChIKey
DGHGHWINSAHNMB-UHFFFAOYSA-N- Molecular formula
- C29H37N5O3S
- Average molar mass
- 535.7 g/mol
Names & identifiers
- Preferred name
- 4-{2-[4-(4-Cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-5-methyl-pyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[2-[[4-[4-(cyclopropylcarbamoyl)-1-benzothiophen-2-yl]-5-methylpyrimidin-2-yl]amino]ethyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL3969362DGHGHWINSAHNMB-UHFFFAOYSA-N4-{2-[4-(4-cyclopropylcarbamoyl-benzo[b]thiophen-2-yl)-5-methyl-pyrimidin-2-ylamino]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 68858765
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 826
Related reactions
2 records
Compound notes
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