1-(2-(4-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)-3-hydroxyphenoxy)ethyl)piperidine-4-carboxamide
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기본 정보
- CAS
1093065-83-8- 표준 SMILES
COc1ccc(-c2c(-c3ccc(OCCN4CCC(C(N)=O)CC4)cc3O)n[nH]c2C)cc1OC- InChIKey
LPPUETFXOQEYKE-UHFFFAOYSA-N- 분자식
- C26H32N4O5
- 평균 분자량
- 480.6 g/mol
- 단동위원소 질량
- 480.23727013
이름 및 식별자
- 우선 이름
- 1-(2-(4-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)-3-hydroxyphenoxy)ethyl)piperidine-4-carboxamide
- IUPAC
- 1-[2-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy]ethyl]piperidine-4-carboxamide
- 영어명
- 1-(2-{4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy}ethyl)-4-piperidinecarboxamide
- 분자식
- C26H32N4O5
- 분자량
- 480.56
이름 및 동의어
1093065-83-81-(2-(4-(4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl)-3-hydroxyphenoxy)ethyl)piperidine-4-carboxamide1-(2-{4-[4-(3,4-DIMETHOXYPHENYL)-5-METHYL-1H-PYRAZOL-3-YL]-3-HYDROXYPHENOXY}ETHYL)PIPERIDINE-4-CARBOXAMIDESTK600468AKOS002291151AKOS005537213ST50794711VU0617454-1AO-022/43452377F3385-43841-(2-{4-[4-(3,4-dimethoxyphenyl)-3-methyl-1H-pyrazol-5-yl]-3-hydroxyphenoxy}ethyl)piperidine-4-carboxamide1-(2-{4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy}ethyl)-4-piperidinecarboxamide
이름 더 보기
4-Piperidinecarboxamide, 1-[2-[4-[4-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-3-hydroxyphenoxy]ethyl]-
1-(2-{4-[4-(3,4-dimethoxyphenyl)-5-methylpyrazol-3-yl]-3-hydroxyphenoxy}ethyl) piperidine-4-carboxamide1-[2-[(4Z)-4-[4-(3,4-dimethoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-ylidene]-3-oxocyclohexa-1,5-dien-1-yl]oxyethyl]piperidine-4-carboxamide
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 676
물리화학적 성질
- 끓는 점
- 695.6 · 695.6±55.0 °C(Predicted)
- 밀도
- 1.242 · 1.242±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.37 · 8.37±0.35(Predicted)
관련 반응
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