Basic information
- CAS
353787-08-3- Standard SMILES
CCOc1cc(C2Nc3ccccc3-c3nnc(SCC)nc3O2)cc(Cl)c1OCc1ccccc1- InChIKey
AJVRSSPQJYMXIS-UHFFFAOYSA-N- Molecular formula
- C27H25ClN4O3S
- Average molar mass
- 521 g/mol
Names & identifiers
- Preferred name
- 6-[4-(Benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- IUPAC
- 6-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- English name
- 6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
- Molecular formula
- C27H25ClN4O3S
- Molecular weight
- 521.0304
Names & synonyms
6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepineOprea1_072984STL169912AKOS000350331AKOS0242989996-(3-chloro-5-ethoxy-4-phenylmethoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepineAK-968/12713058
Database identifiers
- CAS
353787-08-3
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 675
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
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Compound notes
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