Basic information
- Standard SMILES
COCCN1Cc2cc(Cl)ccc2-n2c(nnc2C2CCC(c3cc(C)on3)CC2)C1- InChIKey
WSSSOEBZLCNVTP-UHFFFAOYSA-N- Molecular formula
- C23H28ClN5O2
- Average molar mass
- 442 g/mol
- Monoisotopic mass
- 441.1931528
Names & identifiers
- Preferred name
- trans-8-Chloro-5-(2-methoxy-ethyl)-1-[4-(5-methyl-isoxazol-3-yl)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene
- IUPAC
- 3-[4-[8-chloro-5-(2-methoxyethyl)-4,6-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]cyclohexyl]-5-methyl-1,2-oxazole
Names & synonyms
SCHEMBL2590157SCHEMBL2590158WSSSOEBZLCNVTP-QAQDUYKDSA-Ntrans-8-Chloro-5-(2-methoxy-ethyl)-1-[4-(5-methyl-isoxazol-3-yl)-cyclohexyl]-5,6-dihydro-4H-2,3,5,10b-tetraaza-benzo[e]azulene
Database identifiers
- PubChem CID
- 54589246
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 592
Related reactions
1 records
Compound notes
Loading…