N,N-dimethyl-3-(5H-pyrido[3,4-b][1,4]benzothiazin-5-yl)-1-propanamine
Basic information
- CAS
4345-15-7- Standard SMILES
CN(C)CCCN1c2ccccc2Sc2cnccc21- InChIKey
PKUROYWZWHYCHD-UHFFFAOYSA-N- Molecular formula
- C16H19N3S
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.12996879
Names & identifiers
- Preferred name
- N,N-dimethyl-3-(5H-pyrido[3,4-b][1,4]benzothiazin-5-yl)-1-propanamine
- IUPAC
- N,N-dimethyl-3-pyrido[3,4-b][1,4]benzothiazin-5-ylpropan-1-amine
Names & synonyms
NSC156274NSC-156274NCGC0001442520525-87-5YSH68ZF6MRNCIStruc1_001793NCIStruc2_001229CHEMBL1571975CCG-37002NCI156274NCGC00014425-02NCGC00097530-01
Show more names
NCI60_0011225H-Pyrido[3,4-b][1,4]benzothiazine-5-propanamine, N,N-dimethyl-N,N-Dimethyl-5H-pyrido[3,4-b][1,4]benzothiazine-5-propanamineN,N-dimethyl-3-(5H-pyrido[3,4-b][1,4]benzothiazin-5-yl)-1-propanamine4345-15-7
Database identifiers
- CAS
4345-15-7- PubChem CID
- 423675
- ChEMBL
CHEMBL1571975- UNII
- YSH68ZF6MR
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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