N-{[1-(4-Bromobenzyl)pyrrolidin-3-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide
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Basic information
- Standard SMILES
CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(Cc5ccc(Br)cc5)C4)cc3)oc12- InChIKey
YJMFZKVSACRKEG-UHFFFAOYSA-N- Molecular formula
- C30H29BrN4O2
- Average molar mass
- 557.5 g/mol
- Monoisotopic mass
- 556.14739
Names & identifiers
- Preferred name
- N-{[1-(4-Bromobenzyl)pyrrolidin-3-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide
- IUPAC
- N-[[1-[(4-bromophenyl)methyl]pyrrolidin-3-yl]methyl]-4-(5-cyano-7-propan-2-yl-1,3-benzoxazol-2-yl)benzamide
Names & synonyms
SCHEMBL2833681YJMFZKVSACRKEG-UHFFFAOYSA-NN-{[1-(4-Bromobenzyl)pyrrolidin-3-yl]methyl}-4-(5-cyano-7-isopropyl-1,3-benzoxazol-2-yl)benzamide
Database identifiers
- PubChem CID
- 25152254
Properties
Computed structural propertiesFilling in
- XLogP
- 6.2
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 814
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Related reactions
2 records
Compound notes
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