2-[(4S,4aR,7R,8R,8aS)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(phenylamino)-4H,5H,6H,7H,8aH,9H-naphtho[2,3-d][1,3]thiazol-4-yl]-N,N-diethylacetamide
AlkaPlorer ID: AK259594
Synonym: None
IUPAC Name: 2-[(4R,4aR,7R,8R,8aR)-2-anilino-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N,N-diethylacetamide
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(NC1=CC=CC=C1)=N2
InChI: InChI=1S/C26H37N3O3S/c1-5-29(6-2)22(32)14-18-23-19(33-24(28-23)27-17-10-8-7-9-11-17)15-20-25(18,3)13-12-21(31)26(20,4)16-30/h7-11,18,20-21,30-31H,5-6,12-16H2,1-4H3,(H,27,28)/t18-,20+,21+,25-,26-/m0/s1
InChIKey: WEXONJUQFVHPIR-VQCSTHDWSA-N
Reference
Novel Cytotoxic 4-Phenylfuranocoumarins from <i>Calophyllum </i><i>d</i><i>ispar</i>
PubChem CID: 162807602
Source
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Properties Information
Molecule Weight: 471.66700000000014
TPSA？: 85.69000000000001
MolLogP？: 4.560700000000003
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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