4-[[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(2-propen-1-yl)-2(3H)-thiazolylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
기본 정보
- CAS
313252-47-0- 표준 SMILES
C=CCn1c(-c2ccc3c(c2)OCCO3)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
FXOFAXNRKRUPAC-UHFFFAOYSA-N- 분자식
- C25H24N4O3S
- 평균 분자량
- 460.5 g/mol
- 단동위원소 질량
- 460.15691181
이름 및 식별자
- 우선 이름
- 4-[[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(2-propen-1-yl)-2(3H)-thiazolylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one
- IUPAC
- 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,5-dimethyl-2-phenylpyrazol-3-one
이름 및 동의어
Oprea1_392613DTXSID101101490MFCD01112845AKOS001019944AKOS001484646AKOS030696561313252-47-0UPCMLD0ENAT0504-3300:001Z567934544-[[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-3-(2-propen-1-yl)-2(3H)-thiazolylidene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one4-{[(2E)-4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-(PROP-2-EN-1-YL)-2,3-DIHYDRO-1,3-THIAZOL-2-YLIDENE]AMINO}-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE4-{[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
데이터베이스 식별자
- CAS
313252-47-0- PubChem CID
- 2323224
- DTXSID
DTXSID101101490
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 82.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 879
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