Primary record
BIBF 1120 esylate
- CAS
- 656247-18-6
- PubChem CID
- 136738062
- SMILES
- CCCS(=O)(=O)OC(=O)C1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)N(C)C(=O)CN4CCN(CC4)C)C5=CC=CC=C5
- Molecular Formula
- C33H37N5O6S
- Molecular Weight
- 631.755
- Exact Mass
- 631.2465
- InChI
- InChI=1S/C33H37N5O6S/c1-4-20-45(42,43)44-33(41)24-10-15-27-28(21-24)35-32(40)30(27)31(23-8-6-5-7-9-23)34-25-11-13-26(14-12-25)37(3)29(39)22-38-18-16-36(2)17-19-38/h5-15,21,35,40H,4,16-20,22H2,1-3H3
- InChIKey
- RGVDQFGULVVEEN-UHFFFAOYSA-N
- LogP
- 4.1494
- TPSA
- 135.61
Names and synonyms
- BIBF 1120 esylate
- (Z)-methyl 3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate ethanesulfonate
- 656247-18-6