methyl 4'-{(1R)-1-[(tert-butoxycarbonyl)amino]ethyl)-3-fluoro-1,1'-biphenyl-2-carboxylate (HCID 68519014)

기본 정보

표준 SMILES: COC(=O)c1c(F)cccc1-c1ccc([C@@H](C)NC(=O)OC(C)(C)C)cc1
InChIKey: JCRSLTRDTYXTLG-CYBMUJFWSA-N
분자식: C21H24FNO4
평균 분자량: 373.4 g/mol

이름 및 식별자

우선 이름: methyl 4'-{(1R)-1-[(tert-butoxycarbonyl)amino]ethyl)-3-fluoro-1,1'-biphenyl-2-carboxylate
IUPAC: methyl 2-fluoro-6-[4-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]benzoate

이름 및 동의어

methyl 4'-{(1R)-1-[(tert-butoxycarbonyl)amino]ethyl)-3-fluoro-1,1'-biphenyl-2-carboxylatemethyl 4'-{(1R)-1-[(tert-butoxycarbonyl)amino]ethyl}-3-fluoro-1,1'-biphenyl-2-carboxylateSCHEMBL3120001JCRSLTRDTYXTLG-CYBMUJFWSA-Nmethyl 4'-{(1R)-1-[(tert-butoxycarbonyl)amino]ethyl }-3-fluoro-1,1'-biphenyl-2-carboxylate

데이터베이스 식별자

PubChem CID: 68519014

물성

구조 계산 물성

XLogP: 4.4
극성 표면적: 64.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 7
무거운 원자 수: 27
형식 전하: 0
복잡도: 511

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