기본 정보
- 표준 SMILES
CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(C(F)(F)F)cc2)c1)C(=O)O- InChIKey
PFMGKNXOXIEXRB-UHFFFAOYSA-N- 분자식
- C21H22F3NO4
- 평균 분자량
- 409.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-Methoxy-3-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid
- IUPAC
- 2-[[4-methoxy-3-[[[4-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]butanoic acid
이름 및 동의어
CHEMBL1189392-(4-methoxy-3-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acidSCHEMBL3943372BDBM50131739(+/-)-2-(4-methoxy-3-((4-(trifluoromethyl)benzamido)methyl)benzyl)butanoic acid2-[4-methoxy-3-({[4-(trifluoromethyl)benzoyl]amino}methyl]benzyl]butanoic acid2-{4-Methoxy-3-[(4-trifluoromethyl-benzoylamino)-methyl]-benzyl}-butyric acid2-{4-methoxy-3-[(4-trifluoromethylbenzoylamino)-methyl]phenylmethyl}butyric acid2-Ethyl-3-[3-[4-(trifluoromethyl)benzoylamino-methyl]-4-methoxyphenyl]propanoic acid2-Ethyl-3-[3-[4-(trifluoromethyl)benzoylaminomethyl]-4-methoxyphenyl]propanoic Acid
데이터베이스 식별자
- PubChem CID
- 10201545
- ChEMBL
CHEMBL118939- Nikkaji
- J2.098.083D
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 75.6 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 547
관련 반응
4건
화합물 노트
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