N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
Basic information
- CAS
6388-42-7- Standard SMILES
Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)oc2cc1C- InChIKey
CUKQEJLGGVIWAQ-UHFFFAOYSA-N- Molecular formula
- C24H20FN3O2S
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.12602622
Names & identifiers
- Preferred name
- N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
- IUPAC
- N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide
- English name
- 4,8-diamino-1,3,5,7-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid
- Molecular formula
- C14H10N2O12S2
- Molecular weight
- 462.37
Names & synonyms
N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamideN-{[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}-4-fluorobenzamideAM-879/40777380DTXSID90980665STL377393AKOS002340084N-[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-N'-(4-fluorobenzoyl)thiourea428445-70-9N-[{[5-(5,6-Dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]imino}(sulfanyl)methyl]-4-fluorobenzene-1-carboximidic acid4,8-diamino-1,3,5,7-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-2,6-disulfonic acid2,6-Anthracenedisulfonic acid, 4,8-diamino-9,10-dihydro-1,3,5,7-tetrahydroxy-9,10-dioxo-
Database identifiers
- CAS
6388-42-7- PubChem CID
- 1209262
- DTXSID
DTXSID90980665
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 657
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…