기본 정보
- CAS
128584-73-6- 표준 SMILES
Cc1cc(C)c(S(=O)(=O)OCCN2CN(c3ccccc3)C3(CCN(CCCC4(c5ccc(F)cc5)OCCO4)CC3)C2=O)c(C)c1- InChIKey
FUKZXDHFSKEKGK-UHFFFAOYSA-N- 분자식
- C36H44FN3O6S
- 평균 분자량
- 665.8 g/mol
이름 및 식별자
- 우선 이름
- 8-[4-(4-Fluorophenyl)-4,4-(ethylendioxy)butyl]-3-[2'-(2,4,6-trimethylphenylsulfonyloxyethyl)]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- IUPAC
- 2-[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 2,4,6-trimethylbenzenesulfonate
- 영어명
- 8-[4-(4-Fluorophenyl)-4,4-(ethylendioxy)butyl]-3-[2'-(2,4,6-trimethylphenylsulfonyloxyethyl)]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- 분자식
- C36H44FN3O6S
- 분자량
- 665.81
이름 및 동의어
128584-73-68-[4-(4-FLUOROPHENYL)-4,4-(ETHYLENDIOXY)BUTYL]-3-[2'-(2,4,6-TRIMETHYLPHENYLSULFONYLOXYETHYL)]-1-PHENYL-1,3,8-TRIAZASPIRO[4.5]DECAN-4-ONE2-[8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl 2,4,6-trimethylbenzenesulfonateN-MESITYLENESULFONYL-ETHYL-SPIPERONEN-MESITYLENESULFONYLOXY-ETHYL-SPIPERONEBenzenesulfonic acid, 2,4,6-trimethyl-, 2-[8-[3-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane8-[4-(4-fluorophenyl)-4,4-(ethylendioxy)butyl]-3-[2''-(2,4,6-trimethylphenylsulfonyloxyethyl)]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneBENZENESULFONIC ACID, 2,4,6-TRIMETHYL-, 2-[8-[3-[4-(4-FLUOROPHENYL)-1,3-DIOXOLAN-2-YL]PROPYL]-4-OXO-1-PHENYL]-1,3,8-TRIAZASPIRO[4.5]DECANE
데이터베이스 식별자
- CAS
128584-73-6
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 97 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,130
화학적 성질
Colourless to yellowish oil (partially crystallized)
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