FR 76830

HCID 3082657

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

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]

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