Methyl 2-{3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-[3-methoxy-4-(pentyloxy)phen YL]-5-oxo-2,5-dihydro-1H-pyrrol-1-YL}-4-methyl-1,3-thiazole-5-carboxylat E
기본 정보
- CAS
617698-33-6- 표준 SMILES
CCCCCOc1ccc(C2/C(=C(\O)c3ccc(C)c(F)c3)C(=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1OC- InChIKey
YPSXKLQPKLDGIC-WJTDDFOZSA-N- 분자식
- C30H31FN2O7S
- 평균 분자량
- 582.6 g/mol
- 단동위원소 질량
- 582.18360067
이름 및 식별자
- 우선 이름
- Methyl 2-{3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-[3-methoxy-4-(pentyloxy)phen YL]-5-oxo-2,5-dihydro-1H-pyrrol-1-YL}-4-methyl-1,3-thiazole-5-carboxylat E
- IUPAC
- methyl 2-[(3E)-3-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2-(3-methoxy-4-pentoxyphenyl)-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
이름 및 동의어
617698-33-6METHYL 2-(3-(3-FLUORO-4-METHYLBENZOYL)-4-HYDROXY-2-(3-METHOXY-4-(PENTYLOXY)PHEN YL)-5-OXO-2,5-DIHYDRO-1H-PYRROL-1-YL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLAT EMethyl 2-{3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-2-[3-methoxy-4-(pentyloxy)phen YL]-5-oxo-2,5-dihydro-1H-pyrrol-1-YL}-4-methyl-1,3-thiazole-5-carboxylat ERefChem:813306638-541-5
데이터베이스 식별자
- CAS
617698-33-6- PubChem CID
- 6268155
- EC Number
- 638-541-5
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 144 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 996
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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