4-[(4-chlorobenzyl)oxy]-3-methoxy-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
Basic information
- CAS
593238-58-5- Standard SMILES
COc1cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)ccc1OCc1ccc(Cl)cc1- InChIKey
OXMBOGWWUGMVRP-UHFFFAOYSA-N- Molecular formula
- C30H24ClN3O4S
- Average molar mass
- 558 g/mol
- Monoisotopic mass
- 557.1176051
Names & identifiers
- Preferred name
- 4-[(4-chlorobenzyl)oxy]-3-methoxy-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamide
- IUPAC
- 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide
- English name
- Benzamide, 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[[3-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]- (9CI)
- Molecular formula
- C30H24ClN3O4S
- Molecular weight
- 558.05
Names & synonyms
593238-58-54-((4-Chlorobenzyl)oxy)-3-methoxy-N-((3-(6-methylbenzo[d]oxazol-2-yl)phenyl)carbamothioyl)benzamide4-[(4-chlorobenzyl)oxy]-3-methoxy-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamideDTXSID30397990AKOS003210555BENZAMIDE, 4-[(4-CHLOROPHENYL)METHOXY]-3-METHOXY-N-[[[3-(6-METHYL-2-BENZOXAZOLYL)PHENYL]AMINO]THIOXOMETHYL]-DB-2737054-[(4-Chlorophenyl)methoxy]-3-methoxy-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}benzamideBenzamide, 4-[(4-chlorophenyl)methoxy]-3-methoxy-N-[[[3-(6-methyl-2-benzoxazolyl)phenyl]amino]thioxomethyl]- (9CI)
Database identifiers
- CAS
593238-58-5- PubChem CID
- 3924713
- DTXSID
DTXSID30397990
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 828
Physicochemical properties
- Density
- 1.357 · 1.357±0.06 g/cm3(Predicted)
- pka
- 8.33 · 8.33±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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