(E)-N'-(3-nitrobenzylidene)-3-(4-phenethoxyphenyl)-1H-pyrazole-5-carbohydrazide
기본 정보
- CAS
1032080-51-5- 표준 SMILES
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1- InChIKey
PCNJGGRKDKGMQN-YZSQISJMSA-N- 분자식
- C25H21N5O4
- 평균 분자량
- 455.5 g/mol
- 단동위원소 질량
- 455.15935417
이름 및 식별자
- 우선 이름
- (E)-N'-(3-nitrobenzylidene)-3-(4-phenethoxyphenyl)-1H-pyrazole-5-carbohydrazide
- IUPAC
- N-[(E)-(3-nitrophenyl)methylideneamino]-3-[4-(2-phenylethoxy)phenyl]-1H-pyrazole-5-carboxamide
이름 및 동의어
MFCD03087741STK105808ZINC33340655AKOS002171074ZINC000001469311ST50054560(E)N(3nitrobenzylidene)3(4phenethoxyphenyl)1Hpyrazole5carbohydrazideO=C(c1(nH)nc(c1)c1ccc(cc1)OCCc1ccccc1)NN=Cc1cccc(c1)(N+)(=O)(O)(E)-N'-(3-nitrobenzylidene)-3-(4-phenethoxyphenyl)-1H-pyrazole-5-carbohydrazideC1=CC=C(C=C1)CCOC2=CC=C(C=C2)C3=NNC(=C3)C(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O)N'-(3-NITROBENZYLIDENE)-3-(4-(2-PHENYLETHOXY)PH)-1H-PYRAZOLE-5-CARBOHYDRAZIDEN((1E)2(3NITROPHENYL)1AZAVINYL)(3(4(2PHENYLETHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDE
이름 더 보기
N((E)(3NITROPHENYL)METHYLIDENE)3(4(2PHENYLETHOXY)PHENYL)1HPYRAZOLE5CARBOHYDRAZIDEN((E)(3nitrophenyl)methylideneamino)3(4(2phenylethoxy)phenyl)1Hpyrazole5carboxamideN((E)(3NITROPHENYL)METHYLIDENEAMINO)3(4PHENETHYLOXYPHENYL)1HPYRAZOLE5CARBOXAMIDEN-[(1E)-2-(3-nitrophenyl)-1-azavinyl]{3-[4-(2-phenylethoxy)phenyl]pyrazol-5-yl }carboxamide
데이터베이스 식별자
- CAS
1032080-51-5- PubChem CID
- 6888438
- EC Number
- 120-794-3
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 685
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