4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Basic information
- CAS
590397-26-5- Standard SMILES
CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2C)cc1- InChIKey
HOQVPUYDQUCTPH-UHFFFAOYSA-N- Molecular formula
- C28H29N3O3S
- Average molar mass
- 487.6 g/mol
- Monoisotopic mass
- 487.19296297
Names & identifiers
- Preferred name
- 4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
- IUPAC
- 4-butoxy-N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
- English name
- Benzamide, 4-butoxy-N-[[[3-(5,6-dimethyl-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]- (9CI)
- Molecular formula
- C28H29N3O3S
- Molecular weight
- 487.61
Names & synonyms
590397-26-54-Butoxy-N-((3-(5,6-dimethylbenzo[d]oxazol-2-yl)-2-methylphenyl)carbamothioyl)benzamide4-butoxy-N-{[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamideDTXSID70369070STL378472AKOS002341892BENZAMIDE, 4-BUTOXY-N-[[[3-(5,6-DIMETHYL-2-BENZOXAZOLYL)-2-METHYLPHENYL]AMINO]THIOXOMETHYL]-DB-284985Benzamide, 4-butoxy-N-[[[3-(5,6-dimethyl-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]- (9CI)
Database identifiers
- CAS
590397-26-5- PubChem CID
- 2721132
- DTXSID
DTXSID70369070
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 714
Physicochemical properties
- Comptox DTXSID
- 70369070 · DTXSID70369070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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