Basic information
- CAS
314766-62-6- Standard SMILES
Fc1ccc(NC(=S)N(CCN(Cc2ccccc2)C(=S)Nc2ccc(F)cc2)Cc2ccccc2)cc1- InChIKey
SUACBJDROBRMIA-UHFFFAOYSA-N- Molecular formula
- C30H28F2N4S2
- Average molar mass
- 546.7 g/mol
Names & identifiers
- Preferred name
- 1,1'-Ethane-1,2-diylbis[1-benzyl-3-(4-fluorophenyl)(thiourea)]
- IUPAC
- 1-benzyl-1-[2-[benzyl-[(4-fluorophenyl)carbamothioyl]amino]ethyl]-3-(4-fluorophenyl)thiourea
- English name
- 1,1'-ethane-1,2-diylbis[1-benzyl-3-(4-fluorophenyl)(thiourea)]
- Molecular formula
- C30H28F2N4S2
- Molecular weight
- 546.7
Names & synonyms
STK058793AKOS0004876231,1'-ethane-1,2-diylbis[1-benzyl-3-(4-fluorophenyl)(thiourea)]N,N''-1,2-ethanediylbis[N-benzyl-N'-(4-fluorophenyl)(thiourea)]Thiourea, N,N''-1,2-ethanediylbis[N'-(4-fluorophenyl)-N-(phenylmethyl)- (9CI)
Database identifiers
- CAS
314766-62-6
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 653
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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