Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, monomethanesulfonate

HCID 3078618

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Basic information

CAS: 121943-10-0
Standard SMILES: CS(=O)(=O)O.c1ccc(C(c2ccccc2)N2CCN(C3Cc4ccccc4Sc4ccccc43)CC2)cc1
InChIKey: MSAZITLNBMJJRX-UHFFFAOYSA-N
Molecular formula: C32H34N2O3S2
Average molar mass: 558.8 g/mol
Monoisotopic mass: 558.2010853

Names & identifiers

Preferred name: Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, monomethanesulfonate
IUPAC: 1-benzhydryl-4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine;methanesulfonic acid

Names & synonyms

Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, monomethanesulfonate121943-10-0RefChem:371923DTXSID00924030Methanesulfonic acid--1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-(diphenylmethyl)piperazine (1/1)

Database identifiers

CAS: 121943-10-0
PubChem CID: 3078618
DTXSID: DTXSID00924030

Properties

Computed structural properties

Topological polar surface area: 94.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 39
Formal charge: 0
Complexity: 693

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