Basic information
- CAS
108446-09-9- Standard SMILES
Cc1cc(C)c(N=C2C(C)N(O)c3c(ccc4c(C)cccc34)C3C=CN=CN23)c(C)c1.Cl- InChIKey
MZPVKGBAZOAEKT-UHFFFAOYSA-N- Molecular formula
- C27H29ClN4O
- Average molar mass
- 461 g/mol
- Monoisotopic mass
- 460.2029893
Names & identifiers
- Preferred name
- Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
- IUPAC
- 10-hydroxy-9,16-dimethyl-N-(2,4,6-trimethylphenyl)-5,7,10-triazatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),3,5,12,14,16,18-heptaen-8-imine;hydrochloride
Names & synonyms
108446-09-9Naphtho(2,1-f)pyrimido(1,6-d)(1,4)diazepin-1(2H)-one, 3,11,12,13-tetrahydro-2,11-dimethyl-3-((trimethylphenyl)imino)-, monohydrochloride
Database identifiers
- CAS
108446-09-9- PubChem CID
- 3065633
Properties
Computed structural properties
- Topological polar surface area
- 51.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 766
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…