1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

HCID 73407119

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)N2CCCC2C(N)=O)c1)C(F)(F)F
InChIKey: AKJCJJOQRAGWOW-UHFFFAOYSA-N
분자식: C34H37F4N5O4
평균 분자량: 655.7 g/mol

이름 및 식별자

우선 이름: 1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide
IUPAC: 1-[3-[4-[[4-(5-fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

이름 및 동의어

AKJCJJOQRAGWOW-UHFFFAOYSA-N1-[3-[4-[[4-(5-Fluoro-2-methoxyphenyl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-6-methylindazol-1-yl]benzoyl]pyrrolidine-2-carboxamide

데이터베이스 식별자

PubChem CID: 73407119

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 123 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 10
회전 가능 결합 수: 10
무거운 원자 수: 47
형식 전하: 0
복잡도: 1,110

관련 반응

3건

반응 기록 만들기

HRID 172396 반응식

HRID 172396생성물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 702740 반응식

HRID 702740생성물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1546395 반응식

HRID 1546395반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

연결된 노트

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