기본 정보
- CAS
55203-76-4- 표준 SMILES
CCN1C(=CC=C2C(=O)ON=C2c2ccccc2)C(C)(C)c2cc(S(=O)(=O)c3ccccc3)ccc21- InChIKey
VTOYKNCNUVPKGD-UHFFFAOYSA-N- 분자식
- C29H26N2O4S
- 평균 분자량
- 498.6 g/mol
- 단동위원소 질량
- 498.16132849
이름 및 식별자
- 우선 이름
- 5(4H)-Isoxazolone, 4-[2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]ethylidene]-3-phenyl-
- IUPAC
- 4-[2-[5-(benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene]ethylidene]-3-phenyl-1,2-oxazol-5-one
이름 및 동의어
5(4H)-Isoxazolone, 4-(2-(1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-5(4H)-Isoxazolone, 4-[2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]ethylidene]-3-phenyl-RefChem:527534F3J6DJ8LQM55203-76-45(4H)-Isoxazolone, 4-((1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-4-(2-(5-(Benzenesulfonyl)-1-ethyl-3,3-dimethylindol-2-ylidene)ethylidene)-3-phenyl-1,2-oxazol-5-one5(4H)-Isoxazolone, 4-[[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]ethylidene]-3-phenyl-EINECS 259-532-9UNII-F3J6DJ8LQMVTOYKNCNUVPKGD-UHFFFAOYSA-N4-((1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-5(4H)-isoxazolone
이름 더 보기
NS000332624-((1-Ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulphonyl)-2H-indol-2-ylidene)ethylidene)-3-phenyl-4H-isoxazol-5-one
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 84.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 1,040
화학 및 산업
용도 및 제조
General Manufacturing Information5(4H)-Isoxazolone, 4-[2-[1-ethyl-1,3-dihydro-3,3-dimethyl-5-(phenylsulfonyl)-2H-indol-2-ylidene]ethylidene]-3-phenyl-: INACTIVE
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