(2'-Ethylaminomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

HCID 66603748

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCNCc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)ccc1OC
InChIKey: MFCZZDRYLPBSLE-UHFFFAOYSA-N
분자식: C20H22F3NO3
평균 분자량: 381.4 g/mol

이름 및 식별자

우선 이름: (2'-Ethylaminomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester
IUPAC: methyl 2-[3-[2-(ethylaminomethyl)-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate

이름 및 동의어

(2'-Ethylaminomethyl-6-methoxy-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl esterSCHEMBL136310(2'-ethylaminomethyl-6-methoxy-4'-trifluoromethyi-biphenyl-3-yl)-acetic acid methyl ester(6-methoxy-2'-ethylaminomethyl-4'-trifluoromethyl-biphenyl-3-yl)-acetic acid methyl ester

데이터베이스 식별자

PubChem CID: 66603748

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 47.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 27
형식 전하: 0
복잡도: 472

관련 반응

96건

반응 기록 만들기

HRID 86144반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 92860반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 93057반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 97650반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112907반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 161505반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196958반응물로Training data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 301684반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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