Ethyl 3-(2-fluoro-4-[(4-([[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}propanoate
기본 정보
- 표준 SMILES
CCOC(=O)CCc1ccc(OCc2ccc(CN(CCc3ccc(F)cc3)c3nc(C(C)C)cs3)cc2)cc1F- InChIKey
FANFBTMZPUSGQC-UHFFFAOYSA-N- 분자식
- C33H36F2N2O3S
- 평균 분자량
- 578.7 g/mol
- 단동위원소 질량
- 578.24147051
이름 및 식별자
- 우선 이름
- Ethyl 3-(2-fluoro-4-[(4-([[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}propanoate
- IUPAC
- ethyl 3-[2-fluoro-4-[[4-[[2-(4-fluorophenyl)ethyl-(4-propan-2-yl-1,3-thiazol-2-yl)amino]methyl]phenyl]methoxy]phenyl]propanoate
이름 및 동의어
ethyl 3-(2-fluoro-4-[(4-([[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}propanoateethyl 3-{2-fluoro-4-[(4-{[[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}propanoateSCHEMBL3910374FANFBTMZPUSGQC-UHFFFAOYSA-NEthyl 3-{2-fluoro-4-[(4-{[[2-(4-fluorophenyl)ethyl](4-isopropyl-1,3-thiazol-2-yl)amino]methyl}benzyl)oxy]phenyl}-propanoate
데이터베이스 식별자
- PubChem CID
- 23143258
물성
구조 계산 물성
- XLogP
- 8.1
- 극성 표면적
- 79.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 15
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 761
관련 반응
4건
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