Carbamic acid, (((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Basic information
- CAS
104946-77-2- Standard SMILES
Cc1ccc(N=CN(C)SCNC(=O)Oc2cccc3c2OC(C)(C)C3)c(C)c1- InChIKey
AOXIJYIQHNKSQM-UHFFFAOYSA-N- Molecular formula
- C22H27N3O3S
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.17731291
Names & identifiers
- Preferred name
- Carbamic acid, (((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,4-dimethylphenyl)iminomethyl-methylamino]sulfanylmethyl]carbamate
Names & synonyms
104946-77-2Carbamic acid, (((((2,4-dimethylphenyl)imino)methyl)methylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterDTXSID701384729
Database identifiers
- CAS
104946-77-2- PubChem CID
- 59900
- DTXSID
DTXSID701384729
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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