Basic information
- CAS
34775-53-6- Standard SMILES
Clc1ccc2c(c1)C(N1CCN(CC3CC3)CC1)Cc1ccccc1S2.O=C(O)/C=C/C(=O)O- InChIKey
UBFNXDOUDSGYGS-WLHGVMLRSA-N- Molecular formula
- C26H29ClN2O4S
- Average molar mass
- 501 g/mol
- Monoisotopic mass
- 500.1536563
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(cyclopropylmethyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-(cyclopropylmethyl)piperazine
Names & synonyms
34775-53-6Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(cyclopropylmethyl)-, (Z)-2-butenedioate (1:1)RefChem:10959371-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(cyclopropylmethyl)piperazine maleate
Database identifiers
- CAS
34775-53-6- PubChem CID
- 6445409
Properties
Computed structural properties
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 596
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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