(2S)-2-[(4S,4aS,5S,6S,8aS)-5-hydroxy-4,8a-dimethyl-2-(pyridin-3-yl)-4H,4aH,5H,6H,7H,8H,9H-naphtho[2,3-d][1,3]thiazol-6-yl]-1-(morpholin-4-yl)propan-1-one
AlkaPlorer ID: AK578472
Synonym: None
IUPAC Name: 2-(5-hydroxy-4,8a-dimethyl-2-pyridin-3-yl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl)-1-morpholin-4-ylpropan-1-one
Structure
SMILES: CC(C(=O)N1CCOCC1)C1CCC2(C)CC3=C(N=C(C4=CC=CN=C4)S3)C(C)C2C1O
InChI: InChI=1S/C25H33N3O3S/c1-15(24(30)28-9-11-31-12-10-28)18-6-7-25(3)13-19-21(16(2)20(25)22(18)29)27-23(32-19)17-5-4-8-26-14-17/h4-5,8,14-16,18,20,22,29H,6-7,9-13H2,1-3H3
InChIKey: YDHNCONKYVFBDS-UHFFFAOYSA-N
Reference
Chemical investigation of an antimalarial Chinese medicinal herb Picrorhiza scrophulariiflora
PubChem CID: 3362295
COCONUT: CNP0154799.2
Source
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Properties Information
Molecule Weight: 455.624
TPSA？: 75.55000000000001
MolLogP？: 3.7530000000000032
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 5
Activities Information
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