(E)3(3((4chlorobenzyl)oxy)phenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide
기본 정보
- CAS
1048941-36-1- 표준 SMILES
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1- InChIKey
RPXPDOCJGUHQJQ-OZEOTOAESA-N- 분자식
- C26H21ClN4O2
- 평균 분자량
- 456.9 g/mol
- 단동위원소 질량
- 456.1353036
이름 및 식별자
- 우선 이름
- (E)3(3((4chlorobenzyl)oxy)phenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide
- IUPAC
- 3-[3-[(4-chlorophenyl)methoxy]phenyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-1H-pyrazole-5-carboxamide
이름 및 동의어
MFCD03087768STK101521ZINC34262946AKOS002171117ZINC000004528020ST50054584Clc1ccc(cc1)COc1cccc(c1)c1n(nH)c(c1)C(=O)NN=CC=Cc1ccccc1(E)3(3((4chlorobenzyl)oxy)phenyl)N((E)3phenylallylidene)1Hpyrazole5carbohydrazide3-(3-((4-CL-BENZYL)OXY)PH)N'-(3-PH-2-PROPENYLIDENE)-1H-PYRAZOLE-5-CARBOHYDRAZIDEC1=CC=C(C=C1)C=CC=NNC(=O)C2=CC(=NN2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)Cl(E)-3-(3-((4-chlorobenzyl)oxy)phenyl)-N'-((E)-3-phenylallylidene)-1H-pyrazole-5-carbohydrazide3(3((4CHLOROBENZYL)OXY)PHENYL)N((1E2E)3PHENYLPROP2EN1YLIDENE)1HPYRAZOLE5CARBOHYDRAZIDE
이름 더 보기
3(3((4CHLOROPHENYL)METHOXY)PHENYL)N((E)((E)3PHENYLPROP2ENYLIDENE)AMINO)1HPYRAZOLE5CARBOXAMIDEN((1E3E)4PHENYL1AZABUTA13DIENYL)(3(3((4CHLOROPHENYL)METHOXY)PHENYL)PYRAZOL5YL)CARBOXAMIDEN-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)(3-{3-[(4-chlorophenyl)methoxy]phenyl }pyrazol-5-yl)carboxamide
데이터베이스 식별자
- CAS
1048941-36-1- PubChem CID
- 6888921
- EC Number
- 120-492-1
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 79.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 659
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