Basic information
- CAS
5453-77-0- Standard SMILES
CN(C)CCCN1c2ccccc2Sc2ccc3ccccc3c21- InChIKey
VGMOECBHITYGPM-UHFFFAOYSA-N- Molecular formula
- C21H22N2S
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.15036988
Names & identifiers
- Preferred name
- 3-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamine
- IUPAC
- 3-benzo[a]phenothiazin-12-yl-N,N-dimethylpropan-1-amine
Names & synonyms
NSC18891MLS0027028235453-77-0NSC-188913-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethyl-1-propanamineNCIMech_000665NCIStruc1_001139NCIStruc2_001195CHEMBL1446990DTXSID709697513-(12H-benzo[a]phenothiazin-12-yl)-N,N-dimethylpropan-1-amineNCI18891
Show more names
CCG-35828CCG-36842NCGC00013251NCGC00013251-02NCGC00096370-01NCI60_001573PD011860SMR001566650
Database identifiers
- CAS
5453-77-0- PubChem CID
- 227345
- DTXSID
DTXSID70969751- ChEMBL
CHEMBL1446990
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…