Primary record
AC1NEM90
- CAS
- 315683-13-7
- PubChem CID
- 4644516
- SMILES
- CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)SC3=CC=CC=C3
- Molecular Formula
- C23H27NO2S
- Molecular Weight
- 381.541
- Exact Mass
- 381.1763
- InChI
- InChI=1S/C23H27NO2S/c1-23(2,3)18-14-12-17(13-15-18)21(25)24-16-8-7-11-20(22(24)26)27-19-9-5-4-6-10-19/h4-6,9-10,12-15,20H,7-8,11,16H2,1-3H3
- InChIKey
- KBKCRFXEPZBOOV-UHFFFAOYSA-N
- LogP
- 5.2977
- TPSA
- 37.38
Names and synonyms
- AC1NEM90
- Oprea1_728922
- ZINC01895248
- AKOS001019435
- AKOS016074199
- CID4644516
- 1-(4-tert-butylbenzoyl)-3-(phenylthio)azepan-2-one
- 1-(4-tert-butylbenzoyl)-3-phenylsulfanylazepan-2-one
- AF-399/37374008
- SR-01000471379
- SR-01000471379-1
- Z56794543
- 1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)-2-azepanone
- 1-(4-tert-butylbenzoyl)-3-(phenylsulfanyl)azepan-2-one
- 315683-13-7