Molecule ID: 71627205

IUPAC Name: (11R)-14-acetyl-4,7'-difluoro-15-methyl-1'-prop-2-enylspiro[8,18-dioxa-14,16-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),3,5,12(17),15-hexaene-11,3'-indole]-2',9,13-trione

Description: The molecule is an organic heterohexacyclic compound and spirooxindole-type pyranopyrimidine spiro compound in which the shared atom of the spiro system is the carbon at position 3 of 1-allyl-7-fluoro-1,3-dihydro-2H-indol-2-one. It has a role as an antineoplastic agent. It is an organic heterohexacyclic compound, an organofluorine compound, a spiro compound and a member of oxindoles.

SMILES: C=CCN1C(=O)[C@@]2(c3cccc(F)c31)c1c(c3cc(F)ccc3oc1=O)Oc1nc(C)n(C(C)=O)c(=O)c12

SELFIES: [C][=C][C][N][C][=Branch1][C][=O][C@@][Branch1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring1][O][C][=C][Branch1][P][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][=O][O][C][N][=C][Branch1][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][=Branch1][C][=O][C][=Ring1][O][Ring2][Ring1][S]

InChI: InChI=1S/C27H17F2N3O6/c1-4-10-31-21-16(6-5-7-17(21)29)27(26(31)36)19-22(15-11-14(28)8-9-18(15)37-25(19)35)38-23-20(27)24(34)32(13(3)33)12(2)30-23/h4-9,11H,1,10H2,2-3H3/t27-/m0/s1

Molecular Properties:
- Polar Surface Area: 106.0 Ų
- LogP: 1.8