기본 정보
- CAS
171242-11-8- 표준 SMILES
C[C@@H](O[C@H]1OCCN(Cc2n[nH]nc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
USRYEHHMJIRICK-ZNZBMKLDSA-N- 분자식
- C26H28F7N5O2
- 평균 분자량
- 575.5 g/mol
- 단동위원소 질량
- 575.21312229
개요
an NK1 receptor antagonist
이름 및 식별자
- 우선 이름
- L760735
- IUPAC
- 1-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine
- 영어명
- L 760735
- 분자식
- C26H28F7N5O2
- 분자량
- 575.52
이름 및 동의어
L7607351-[5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-2H-triazol-4-yl]-N,N-dimethylmethanamine1-(5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholin-4-yl)methyl)-2H-triazol-4-yl)-N,N-dimethylmethanamineRefChem:924448L-760,735L 760735171242-11-84I4P4I2E8PUNII-4I4P4I2E8PL-760735F2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)-ethoxy)-4-(5-(dimethylamino)methyl-1,2,3-triazol-4-yl)methyl-3-(S)-(4-fluorophenyl)morpholine1H-1,2,3-Triazole-4-methanamine, 5-(((2R,3S)-2-((1R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-N,N-dimethyl-
이름 더 보기
1H-1,2,3-Triazole-4-methanamine, 5-[[(2R,3S)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-N,N-dimethyl-
5-(((2R,3S)-2-((1R)-1-(3,5-Bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)-4-morpholinyl)methyl)-N,N-dimethyl-1H-1,2,3-triazole-4-methanamine1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamineSCHEMBL733771CHEMBL4303434SCHEMBL29407273GTPL10349DTXSID90430978NCGC00370778-01
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 66.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 774
물리화학적 성질
- 끓는 점
- 531.1 · 531.1±50.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.3 · 7.30±0.70(Predicted)
화학 및 산업
공급사7 곳
United States Biological Inc.[email protected]
上海伟寰生物科技有限公司[email protected]
厦门慧嘉生物科技有限公司—
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
北京博蕾德生物科技有限公司[email protected]
上海浩洋生物科技有限公司[email protected]
上海超研生物科技有限公司[email protected]
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