主记录
Ro 46-2005
- CAS
- 150725-87-4
- PubChem CID
- 122044
- SMILES
- CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)OC3=CC=CC(=C3)OC
- 分子式
- C23H27N3O6S
- 分子量
- 473.551
- 精确分子量
- 473.1621
- InChI
- InChI=1S/C23H27N3O6S/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)26-21-20(22(25-15-24-21)31-13-12-27)32-18-7-5-6-17(14-18)30-4/h5-11,14-15,27H,12-13H2,1-4H3,(H,24,25,26)
- InChIKey
- ZNXOKLWCOWOECF-UHFFFAOYSA-N
- LogP
- 3.7469
- TPSA
- 119.87
名称与别名
- Ro 46-2005
- 150725-87-4
- Ro-46-2005
- ro46-2005
- AC1L3TVG
- RO462005
- RefChem:179681
- ACMC-20n61p
- D0J5HU
- 96R6F9J2AV
- CHEMBL115951
- C23H27N3O6S
- DTXSID80164598
- ZNXOKLWCOWOECF-UHFFFAOYSA-N
- orb1304439
- SCHEMBL2678965
- DTXCID9087089
- Ro-462005
- SCHEMBL30057758
- CTK4C6747
- KS-00001DFD
- AGA72587
- BCP17756
- ZINC1535471
- BDBM50105015
- C23-H27-N3-O6-S
- CID122044
- MFCD00918670
- ZB0030
- AKOS030526571