Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperidinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1)
Basic information
- CAS
155444-11-4- Standard SMILES
CN1c2ccccc2C(OCCN2CCCCC2)c2ccccc2S1(=O)=O.O=C(O)/C=C/C(=O)O- InChIKey
PUWACPASTBTSBQ-WLHGVMLRSA-N- Molecular formula
- C25H30N2O7S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.17737247
Names & identifiers
- Preferred name
- Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperidinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;6-methyl-11-(2-piperidin-1-ylethoxy)-11H-benzo[c][1,2]benzothiazepine 5,5-dioxide
Names & synonyms
155444-11-4Dibenzo(c,f)(1,2)thiazepine, 6,11-dihydro-6-methyl-11-(2-(1-piperidinyl)ethoxy)-, 5,5-dioxide,(Z)-2-butenedioate (1:1)RefChem:1083360
Database identifiers
- CAS
155444-11-4- PubChem CID
- 6448958
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 704
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…