10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-dipropylaminopropyl) ester, hydrochloride
Basic information
- CAS
63885-96-1- Standard SMILES
CCCN(CCC)CCCSC(=O)N1c2ccccc2Sc2cccnc21.Cl- InChIKey
RECTWSFRUYTMDQ-UHFFFAOYSA-N- Molecular formula
- C21H28ClN3OS2
- Average molar mass
- 438.1 g/mol
- Monoisotopic mass
- 437.1362326
Names & identifiers
- Preferred name
- 10H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-dipropylaminopropyl) ester, hydrochloride
- IUPAC
- S-[3-(dipropylamino)propyl] pyrido[3,2-b][1,4]benzothiazine-10-carbothioate;hydrochloride
Names & synonyms
D 70210H-Pyrido(3,2-b)(1,4)benzothiazine-10-carbothioic acid, S-(3-dipropylaminopropyl) ester, hydrochloride63885-96-1DTXSID20213458RefChem:236029DTXCID20135949S-[3-(Dipropylamino)propyl] 10H-pyrido[3,2-b][1,4]benzothiazine-10-carbothioate--hydrogen chloride (1/1)
Database identifiers
- CAS
63885-96-1- PubChem CID
- 3048166
- DTXSID
DTXSID20213458
Properties
Computed structural properties
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 459
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Compound notes
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