2-(Cyanomethyl)-5-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile
CAS N/A MFCD12922690
化学结构图
SMILES: N#CC1C=C2SC(CC#N)=NC2=CC=1C(F)(F)F
化学属性
| Mol. Formula | C11H4F3N3S |
|---|---|
| Mol. Weight | 267.23 |
| Melting Point | 99-101° |
别名和识别编码
| Chemical Name | 2-(Cyanomethyl)-5-(trifluoromethyl)-1,3-benzothiazole-6-carbonitrile |
|---|---|
| Alfabeta Name | CYANOMETHYLTRIFLUOROMETHYLBENZOTHIAZOLECARBONITRILE 25136(())-------, |
| MDL Number | MFCD12922690 |
分类
- {KO} Nitriles
安全信息
药物吸收、分布、代谢与排泄(ADME)
Lipinski's Rule of 3
Y
H-bond Acceptors
3
Lipinski's Rule of 5
Y
LogP
2
Rotatable Bonds
1
H-bond Donors
0
