ethyl 1-(4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-thiazol-2-yl}piperidine-4-carboxylate
기본 정보
- 표준 SMILES
CCOC(=O)C1CCN(c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)s2)CC1- InChIKey
SOFHZTSUQZKVHA-UHFFFAOYSA-N- 분자식
- C31H34N4O6S
- 평균 분자량
- 590.7 g/mol
이름 및 식별자
- 우선 이름
- ethyl 1-(4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-thiazol-2-yl}piperidine-4-carboxylate
- IUPAC
- ethyl 1-[4-[[4-[(4-formyl-1-phenylpyrazol-3-yl)oxymethyl]-2-methoxyphenoxy]methyl]-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxylate
이름 및 동의어
ethyl 1-(4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-thiazol-2-yl}piperidine-4-carboxylateethyl 1-{4-[(4-{[(4-formyl-1-phenyl-1H-pyrazol-3-yl)oxy]methyl}-2-methoxyphenoxy)methyl]-5-methyl-1,3-thiazol-2-yl}piperidine-4-carboxylateSCHEMBL4846394SOFHZTSUQZKVHA-UHFFFAOYSA-N
데이터베이스 식별자
- PubChem CID
- 86605907
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 857
관련 반응
4건
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