N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide

HCID 10099786

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1cccc(C)c1NC(=O)CN1CCN(CC(O)COc2ccc3oc(-c4cccc(C(F)(F)F)c4)nc3c2)CC1
InChIKey: BUSOHISTSQHOLT-UHFFFAOYSA-N
분자식: C31H33F3N4O4
평균 분자량: 582.6 g/mol
단동위원소 질량: 582.24539003

이름 및 식별자

우선 이름: N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamide
IUPAC: N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide

이름 및 동의어

N-(2,6-dimethylphenyl)-2-(4-{2-hydroxy-3-[2-(3-trifluoromethylphenyl)-benzoxazol-5-yloxy]-propyl}-piperazin-1-yl)acetamideCHEMBL172089SCHEMBL5225586

데이터베이스 식별자

PubChem CID: 10099786
ChEMBL: CHEMBL172089

물성

구조 계산 물성

XLogP: 5.1
극성 표면적: 91.1 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 10
회전 가능 결합 수: 9
무거운 원자 수: 42
형식 전하: 0
복잡도: 864

관련 반응

6건

반응 기록 만들기

HRID 88638 반응식

HRID 88638반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165910 반응식

HRID 165910반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 664994 반응식

HRID 664994반응물로Training data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1230830 반응식

HRID 1230830반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1239671 반응식

HRID 1239671반응물로Training data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 2134877 반응식

HRID 2134877반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

연결된 노트

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