Primary record
AKOS032961252
- CAS
- 1260251-26-0
- PubChem CID
- 69289897
- SMILES
- CC(=O)O[C@H]1C[C@H](NC1)CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)C[C@@H]6C[C@@H](CN6)OC(=O)C
- Molecular Formula
- C30H32F2N4O4
- Molecular Weight
- 550.606
- Exact Mass
- 550.2392
- InChI
- InChI=1S/C30H32F2N4O4/c1-15(37)39-21-9-19(33-13-21)11-25-23-5-3-17(31)7-27(23)35-29(25)30-26(24-6-4-18(32)8-28(24)36-30)12-20-10-22(14-34-20)40-16(2)38/h3-8,19-22,33-36H,9-14H2,1-2H3/t19-,20-,21-,22-/m0/s1
- InChIKey
- YJDMAFGPZFARJT-CMOCDZPBSA-N
- LogP
- 4.2666
- TPSA
- 108.24
Names and synonyms
- SCHEMBL5040383
- SCHEMBL31289408
- AKOS032961252
- 1260251-26-0
- 3,4-Difluoro-1H,1'H-2,2'-biindole 2-(pyrrolidin-1-yl)acetate
- (3S,3'S,5R,5'R)-((6,6'-Difluoro-1H,1'H-[2,2'-biindole]-3,3'-diyl)bis(methylene))bis(pyrrolidine-5,3-diyl) diacetate
- (3S,3'S,5R,5'R)-5,5'-(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis(methylene)bis(pyrrolidine-5,3-diyl) diacetate
- (3S,5R)-5-[(3'-{[(2R,4S)-4-(acetyloxy)pyrrolidin-2-yl]methyl}-6,6'-difluoro-1H,1'H-[2,2'-biindole]-3-yl)methyl]pyrrolidin-3-yl acetate