Basic information
- CAS
19824-92-1- Standard SMILES
CC(=O)OCCN1CCCN(CCCN2c3ccccc3Sc3cc(Cl)cnc32)CC1.Cl.Cl- InChIKey
ZEAXDVOLBCICEL-UHFFFAOYSA-N- Molecular formula
- C23H31Cl3N4O2S
- Average molar mass
- 533.9 g/mol
- Monoisotopic mass
- 532.12333
Names & identifiers
- Preferred name
- 1H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride
- IUPAC
- 2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl]ethyl acetate;dihydrochloride
Names & synonyms
19824-92-1D 12681H-1,4-Diazepine-1-ethanol, hexahydro-4-(3-(3-chloro-10H-pyrido(3,2-b)(1,4)benzothiazin-10-yl)propyl)-, acetate, dihydrochloride10-(3-(4-(Acetoxyaethyl)homopiperazino)propyl-(1))-2-chlor-4-azaphenthiazin dihydrochloridRefChem:237160DTXSID709416532-{4-[3-(3-Chloro-10H-pyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]-1,4-diazepan-1-yl}ethyl acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
19824-92-1- PubChem CID
- 209404
- DTXSID
DTXSID70941653
Properties
Computed structural properties
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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