主记录
asivatrep
- CAS
- 1005168-10-4
- PubChem CID
- 56649347
- SMILES
- CCCC1=C(C=CC(=N1)C(F)(F)F)/C=C/C(=O)N[C@H](C)C2=CC(=C(C(=C2)F)NS(=O)(=O)C)F
- 分子式
- C21H22F5N3O3S
- 分子量
- 491.482
- 精确分子量
- 491.1302
- InChI
- InChI=1S/C21H22F5N3O3S/c1-4-5-17-13(6-8-18(28-17)21(24,25)26)7-9-19(30)27-12(2)14-10-15(22)20(16(23)11-14)29-33(3,31)32/h6-12,29H,4-5H2,1-3H3,(H,27,30)/b9-7+/t12-/m1/s1
- InChIKey
- UKGJZDSUJSPAJL-YPUOHESYSA-N
- LogP
- 4.5932
- TPSA
- 88.16
名称与别名
- asivatrep
- PAC-14028
- asivatrepum
- 1005168-10-4
- ASIVATREP [INN]
- ASIVATREP [WHO-DD]
- RefChem:169430
- UNII-3VF7K7Z10B
- 3VF7K7Z10B
- PAC 14028
- GTPL9621
- orb1706851
- C21H22F5N3O3S
- CHEMBL5398726
- SCHEMBL13018232
- SCHEMBL29379519
- 4-methyl-2-thiazollecarbonitrile
- Example 230 [US7858621]
- UKGJZDSUJSPAJL-YPUOHESYSA-N
- GLXC-20293
- EX-A11921
- MFCD28502100
- Example 230 (US7858621)
- AKOS040742360
- CS-6239
- DB12428
- DA-76546
- HY-12777
- MS-29132
- NS00072961