Ethyl 2-[3-(4-butoxybenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate
기본 정보
- CAS
609795-32-6- 표준 SMILES
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C(=O)OCC)s3)C2c2ccccc2F)cc1- InChIKey
CFIQCIISBBXBOO-LNVKXUELSA-N- 분자식
- C28H27FN2O6S
- 평균 분자량
- 538.6 g/mol
- 단동위원소 질량
- 538.15738592
이름 및 식별자
- 우선 이름
- Ethyl 2-[3-(4-butoxybenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-YL]-4-methyl-1,3-thiazole-5-carboxylate
- IUPAC
- ethyl 2-[(3Z)-3-[(4-butoxyphenyl)-hydroxymethylidene]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
이름 및 동의어
ethyl 2-[3-(4-butoxybenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate609795-32-6ETHYL 2-(3-(4-BUTOXYBENZOYL)-2-(2-FLUOROPHENYL)-4-HYDROXY-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATERefChem:593750646-975-1STK813114AKOS002193231AKOS016067721ethyl 2-{3-[(4-butoxyphenyl)carbonyl]-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
데이터베이스 식별자
- CAS
609795-32-6- PubChem CID
- 16428933
- EC Number
- 646-975-1
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 134 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 908
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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