기본 정보
- 표준 SMILES
COC(=O)c1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1- InChIKey
DPAOSJVQJAIHRV-UHFFFAOYSA-N- 분자식
- C24H22F3NO4
- 평균 분자량
- 445.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate
- IUPAC
- methyl 3-[(3-phenoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)anilino)methyl]benzoate
이름 및 동의어
CHEMBL341275methyl 3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoateSCHEMBL5180018BDBM50118063methyl 3-[[(3-phenoxy-phenyl )(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxy-phenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl )(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxy-propyl)amino]methyl]benzoatemethyl 3-[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino] methyl]benzoatemethyl 3[[(3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzoatemethyl 3[[(3-phenoxyphenyl)(3,3,3-trifluoro2-hydroxypropyl)amino]methyl]benzoate
이름 더 보기
methyl-3-(((3-phenoxyphenyl)(3,3,3-trifluoro-2-hydroxypropyl)amino)methyl)benzoate3-{[(3-Phenoxy-phenyl)-(3,3,3-trifluoro-2-hydroxy-propyl)-amino]-methyl}-benzoic acid methyl ester
데이터베이스 식별자
- PubChem CID
- 10993963
- ChEMBL
CHEMBL341275
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 59 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 582
관련 반응
92건
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