Thalidasine
AlkaPlorer ID: AK315770
Synonym: 6,6',7,7',12-Pentamethoxy-2,2'-dimethylthalidasan, 12-O-Methylthalfoetidine
IUPAC Name: 10,11,15,16,27-pentamethoxy-4,21-dimethyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(32),7(12),8,10,14(36),15,17,24(35),25,27,30,33-dodecaene
Structure
SMILES: COC1=CC=C2C=C1OC1=CC=C(C=C1)CC1C3=CC(OC)=C(OC)C(=C3CCN1C)OC1=C3C(=CC(OC)=C1OC)CCN(C)C3C2
InChI: InChI=1S/C39H44N2O7/c1-40-17-15-27-28-22-34(44-5)37(45-6)36(27)48-39-35-25(21-33(43-4)38(39)46-7)14-16-41(2)30(35)19-24-10-13-31(42-3)32(20-24)47-26-11-8-23(9-12-26)18-29(28)40/h8-13,20-22,29-30H,14-19H2,1-7H3
InChIKey: SVQMVSCWYACSCP-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 652.7880000000001
TPSA？: 71.09
MolLogP？: 7.171000000000009
Number of H-Donors: 0
Number of H-Acceptors: 9
RingCount: 8
Activities Information
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