Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester
Basic information
- CAS
41931-86-6- Standard SMILES
CCCCCCCCCC(=O)OCCCN1CCN(C2Cc3ccccc3Sc3ccc(SC)cc32)CC1- InChIKey
SUVSVBSQNAUQJU-UHFFFAOYSA-N- Molecular formula
- C32H46N2O2S2
- Average molar mass
- 554.9 g/mol
- Monoisotopic mass
- 554.30007106
Overview
structure in Negwer, 5th ed, #5882
Names & identifiers
- Preferred name
- Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl ester
- IUPAC
- 3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoate
- English name
- 3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazinyl]propyl decanoate
- Molecular formula
- C32H46N2O2S2
- Molecular weight
- 554.84984
Names & synonyms
Oxyprothepin decanoateOxyprothepine decanoate41931-86-6KFH034QDI8Decanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazinyl)propyl esterDTXSID70962065RefChem:169083DTXCID501389878255-592-53-(4-(10,11-Dihydro-8-(methylthio)dibenzo(b,f)thiepin-10-yl)piperazinyl)propyl decanoate3-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl decanoateUNII-KFH034QDI8
Show more names
10--8-methylthio-10,11-dihydrodibenzothiepinDecanoic acid 3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-piperazinyl]propylDecanoic acid 3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]-1-piperazinyl]propyl esterDecanoic acid, 3-(4-(10,11-dihydro-8-(methylthio)dibenzo(B,F)thiepin-10-yl)-1-piperizinyl)propyl ester
3-[4-[10,11-dihydro-8-(methylthio)dibenzo[b,f]thiepin-10-yl]piperazinyl]propyl decanoateEINECS 255-592-5BRN 09052255-23-02-00470 (Beilstein Handbook Reference)orb1695778SCHEMBL11841252SUVSVBSQNAUQJU-UHFFFAOYSA-NAKOS030593644
Properties
Computed structural properties
- XLogP
- 8.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- FDA UNII
- 34 QDI8 · KFH034QDI8
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Related reactions
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Compound notes
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