Basic information
- Standard SMILES
NC(=NCC(F)(F)F)Nc1nc(CCCCNNC(=S)NNCCCCc2csc(NC(N)=NCC(F)(F)F)n2)cs1- InChIKey
LDCVZSJSHJUYPY-UHFFFAOYSA-N- Molecular formula
- C21H32F6N12S3
- Average molar mass
- 662.8 g/mol
Names & identifiers
- Preferred name
- 1,3-Di[4-(2-[2-(2,2,2-trifluoroethyl)-guanidino]thiazol-4-yl)butylamino)thiourea
- IUPAC
- 1,3-bis[4-[2-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]butylamino]thiourea
Names & synonyms
1,3-di[4-(2-[2-(2,2,2-trifluoroethyl)-guanidino]thiazol-4-yl)butylamino)thiourea1,3-di[4-(2-[2-(2,2,2-trifluoroethyl)guanidino]thiazol-4-yl)butylamino)thiourea1,3-di[4-(2-[2-(2,2,2-trifluoroethyl)guanidino]thiazol-4-yl)butylamino]thioureaSCHEMBL10677606
Database identifiers
- PubChem CID
- 54027331
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 263 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 18
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 798
Related reactions
3 records
Compound notes
Loading…