Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1ccc(-c2ccnc(NCCCN3CCCCC3)n2)cc1- InChIKey
RWEWTLBMQAXQRC-UHFFFAOYSA-N- Molecular formula
- C30H38N6O3
- Average molar mass
- 530.7 g/mol
Names & identifiers
- Preferred name
- N-(2-t-butoxycarbonylaminophenyl)-4-{2-[(3-piperidin-1-ylpropyl)amino]pyrimidin-4-yl}benzamide
- IUPAC
- tert-butyl N-[2-[[4-[2-(3-piperidin-1-ylpropylamino)pyrimidin-4-yl]benzoyl]amino]phenyl]carbamate
Names & synonyms
SCHEMBL2832268RWEWTLBMQAXQRC-UHFFFAOYSA-NN-(2-t-butoxycarbonylaminophenyl)-4-{2-[(3-piperidin-1-ylpropyl)amino]pyrimidin-4-yl}benzamide
Database identifiers
- PubChem CID
- 68408293
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 760
Related reactions
2 records
Compound notes
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