기본 정보
- CAS
482306-15-0- 표준 SMILES
O=C(NCC(O)CNc1ccc(N2CCOCC2=O)c(C(F)(F)F)c1)c1ccc(Cl)s1- InChIKey
LLUVTGIXIULQSJ-UHFFFAOYSA-N- 분자식
- C19H19ClF3N3O4S
- 평균 분자량
- 477.9 g/mol
- 단동위원소 질량
- 477.0736894
이름 및 식별자
- 우선 이름
- 2-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]-
- IUPAC
- 5-chloro-N-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide
- 영어명
- 2-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]-
- 분자식
- C19H19ClF3N3O4S
- 분자량
- 477.89
이름 및 동의어
482306-15-02-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]-5-chloro-N-[2-hydroxy-3-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide5-Chloro-N-(2-hydroxy-3-((4-(3-oxomorpholino)-3-(trifluoromethyl)phenyl)amino)propyl)thiophene-2-carboxamideSCHEMBL76937LLUVTGIXIULQSJ-UHFFFAOYSA-N2-Thiophenecarboxamide,5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]amino]propyl]-5-Chloro-N-[2-Hydroxy-3-[[4-(3-Oxomorpholin-4-Yl)-3-(Trifluoromethyl)Phenyl]Amino]Propyl]Thiophene-2-Carboxamide2-Thiophenecarboxamide, 5-chloro-N-[2-hydroxy-3-[[4-(3-oxo-4-mor5-Chloro-N-(2-hydroxy-3-{[4-(3-oxo-4-morpholinyl)-3-(trifluoromethyl)phenyl]-amino}propyl)-2-thiophenecarboxamide
데이터베이스 식별자
- CAS
482306-15-0- PubChem CID
- 21070673
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 645
화학 및 산업
공급사1 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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