2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-2,4a,8-trimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N-(2-methoxyethyl)acetamide
AlkaPlorer ID: AK253634
Synonym: None
IUPAC Name: 2-[(4S,4aR,7R,8R,8aR)-7-hydroxy-8-(hydroxymethyl)-2,4a,8-trimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-methoxyethyl)acetamide
Structure
SMILES: COCCNC(=O)C[C@@H]1C2=C(C[C@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(C)=N2
InChI: InChI=1S/C20H32N2O4S/c1-12-22-18-13(9-17(25)21-7-8-26-4)19(2)6-5-16(24)20(3,11-23)15(19)10-14(18)27-12/h13,15-16,23-24H,5-11H2,1-4H3,(H,21,25)/t13-,15-,16-,19+,20+/m1/s1
InChIKey: SQDYCVXVAPSBJA-ORNVVXIYSA-N
Reference
4-Phenylcoumarins from Mesua elegans with acetylcholinesterase inhibitory activity
PubChem CID: 162808925
Source
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Properties Information
Molecule Weight: 396.55300000000017
TPSA？: 91.68
MolLogP？: 2.0197199999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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