기본 정보
- CAS
113243-75-7- 표준 SMILES
Cc1nc(-c2ccccc2)cc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCCN1CCOCC1- InChIKey
HNBRMVZTOLAZRW-UHFFFAOYSA-N- 분자식
- C25H26N4O4
- 평균 분자량
- 446.5 g/mol
- 단동위원소 질량
- 446.19540531
개요
structure given in first source; RN given refers to parent cpd
이름 및 식별자
- 우선 이름
- FR 76830
- IUPAC
- 2-methyl-N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamide
- 영어명
- FR 76830
- 분자식
- C25H26N4O4
- 분자량
- 446.5
이름 및 동의어
113243-75-7FR 76830FR-76830DTXSID70150329RefChem:141444DTXCID30728202-Methyl-N-(2-(4-morpholinyl)ethyl)-4-(3-nitrophenyl)-6-phenylnicotinamide2-methyl-N-(2-morpholin-4-ylethyl)-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamide3-Pyridinecarboxamide, 2-methyl-N-(4-morpholinylethyl)-4-(3-nitrophenyl)-6-phenyl-3-Pyridinecarboxamide,2-methyl-N-[2-(4-morpholinyl)ethyl]-4-(3-nitrophenyl)-6-phenyl-2-Methyl-N-(4-morpholinylethyl)-4-(3-nitrophenyl)-6-phenyl-3-pyridinecarboxamideHNBRMVZTOLAZRW-UHFFFAOYSA-N
이름 더 보기
3-Pyridinecarboxamide, 2-methyl-N-[2-(4-morpholinyl)ethyl]-4-(3-nitrophenyl)-6-phenyl-
orb1700564SCHEMBL9601411fr76830AKOS0407483872-methyl-N-[2-(morpholin-4-yl)ethyl]-4-(3-nitrophenyl)-6-phenylpyridine-3-carboxamideHY-116960T273653-(2-morpholinoethylcarbamoyl)-2-methyl-4-(3-nitrophenyl)-6-phenylpyridine
데이터베이스 식별자
- CAS
113243-75-7- PubChem CID
- 3082657
- DTXSID
DTXSID70150329- Nikkaji
- J523.913C
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 645
물리화학적 성질
- 끓는 점
- 591.6 · 591.6±50.0 °C(Predicted)
- 밀도
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.37 · 13.37±0.46(Predicted)
화학 및 산업
공급사4 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]
관련 반응
6건
화합물 노트
불러오는 중…