N-Methylmanzacidin C
AlkaPlorer ID: AK082220
Synonym: ''
IUPAC Name: (4R,6R)-6-[(4-bromo-1H-pyrrole-2-carbonyl)oxymethyl]-1,6-dimethyl-4,5-dihydropyrimidine-4-carboxylic acid
Structure
SMILES: CN1C=N[C@@H](C(=O)O)C[C@]1(C)COC(=O)C1=CC(Br)=CN1
InChI: InChI=1S/C13H16BrN3O4/c1-13(4-10(11(18)19)16-7-17(13)2)6-21-12(20)9-3-8(14)5-15-9/h3,5,7,10,15H,4,6H2,1-2H3,(H,18,19)/t10-,13-/m1/s1
InChIKey: PDJBLWWXLHVRMM-ZWNOBZJWSA-N
Source
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Properties Information
Molecule Weight: 358.1919999999999
TPSA？: 94.99
MolLogP？: 1.5096999999999992
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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