(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: AK109542
Synonym: None
IUPAC Name: (2S)-2-[(4R,4aS,5S,6R,8aR)-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: C[C@H](C(=O)N1CCOCC1)[C@H]1CC[C@]2(C)CC3=C(N=C(C4=CC=CN=C4)S3)[C@H](C)[C@@H]2[C@H]1O
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/t15-,16+,18+,20+,22-,25+/m0/s1
InChIKey: YDHNCONKYVFBDS-UETZIHCMSA-N
Reference
Dihydroisocoumarins and phthalide from wood samples infested by fungi☆
PubChem CID: 162888137
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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