1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-diethyl-, (Z)-2-butenedioate (1:2)
Basic information
- CAS
34661-59-1- Standard SMILES
CCN(CC)CCN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
VTRNZOGDZFCRAD-LVEZLNDCSA-N- Molecular formula
- C32H40ClN3O8S
- Average molar mass
- 662.2 g/mol
- Monoisotopic mass
- 661.2224641
Names & identifiers
- Preferred name
- 1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-diethyl-, (Z)-2-butenedioate (1:2)
- IUPAC
- bis((E)-but-2-enedioic acid);2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]-N,N-diethylethanamine
Names & synonyms
1-Piperazineethanamine, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-N,N-diethyl-, (Z)-2-butenedioate (1:2)34661-59-1RefChem:1056524
Database identifiers
- CAS
34661-59-1- PubChem CID
- 6445404
Properties
Computed structural properties
- Topological polar surface area
- 184 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 613
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Compound notes
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