N-[(4S,4aR,7R,8R,8aS)-4-[(diethylcarbamoyl)methyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-2-yl]-3,3-dimethylbutanamide
AlkaPlorer ID: AK118387
Synonym: None
IUPAC Name: N-[(4R,4aR,7R,8R,8aR)-4-[2-(diethylamino)-2-oxoethyl]-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-2-yl]-3,3-dimethylbutanamide
Structure
SMILES: CCN(CC)C(=O)C[C@H]1C2=C(C[C@H]3[C@](C)(CO)[C@H](O)CC[C@]31C)SC(NC(=O)CC(C)(C)C)=N2
InChI: InChI=1S/C26H43N3O4S/c1-8-29(9-2)21(33)12-16-22-17(34-23(28-22)27-20(32)14-24(3,4)5)13-18-25(16,6)11-10-19(31)26(18,7)15-30/h16,18-19,30-31H,8-15H2,1-7H3,(H,27,28,32)/t16-,18+,19+,25-,26-/m0/s1
InChIKey: LCLNJSHWCYQRLT-NLSCPHEOSA-N
Reference
PubChem CID: 162813103
Source
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Properties Information
Molecule Weight: 493.7140000000003
TPSA？: 102.76
MolLogP？: 4.191800000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
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