主记录
Semapimod
- CAS
- 352513-83-8
- PubChem CID
- 5483079
- SMILES
- C/C(=N/N=C(N)N)/C1=CC(=CC(=C1)NC(=O)CCCCCCCCC(=O)NC2=CC(=CC(=C2)/C(=N\N=C(N)N)/C)/C(=N\N=C(N)N)/C)/C(=N\N=C(N)N)/C
- 分子式
- C34H52N18O2
- 分子量
- 744.914
- 精确分子量
- 744.4521
- InChI
- InChI=1S/C34H52N18O2/c1-19(45-49-31(35)36)23-13-24(20(2)46-50-32(37)38)16-27(15-23)43-29(53)11-9-7-5-6-8-10-12-30(54)44-28-17-25(21(3)47-51-33(39)40)14-26(18-28)22(4)48-52-34(41)42/h13-18H,5-12H2,1-4H3,(H,43,53)(H,44,54)(H4,35,36,49)(H4,37,38,50)(H4,39,40,51)(H4,41,42,52)/b45-19-,46-20-,47-21-,48-22-
- InChIKey
- PWDYHMBTPGXCSN-MPLWBOJPSA-N
- LogP
- 1.3742
- TPSA
- 365.24
名称与别名
- Semapimod
- ZINC72266997
- N,N'-Bis[3,5-bis[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]decanediamide
- 352513-83-8