5-(4-Chlorophenyl)-2-furancarboxaldehyde 2-[5-[(4-methylphenyl)methyl]-4-oxo-3-(2-propen-1-yl)-2-thiazolidinylidene]hydrazone
기본 정보
- CAS
290839-62-2- 표준 SMILES
C=CCN1C(=O)C(Cc2ccc(C)cc2)SC1=NN=Cc1ccc(-c2ccc(Cl)cc2)o1- InChIKey
KTEMNUOTJZSOKR-UHFFFAOYSA-N- 분자식
- C25H22ClN3O2S
- 평균 분자량
- 464 g/mol
- 단동위원소 질량
- 463.1121258
이름 및 식별자
- 우선 이름
- 5-(4-Chlorophenyl)-2-furancarboxaldehyde 2-[5-[(4-methylphenyl)methyl]-4-oxo-3-(2-propen-1-yl)-2-thiazolidinylidene]hydrazone
- IUPAC
- 2-[[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
- 영어명
- (2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
- 분자식
- C25H22ClN3O2S
- 분자량
- 463.98
이름 및 동의어
DTXSID001103598290839-62-25-(4-Chlorophenyl)-2-furancarboxaldehyde 2-[5-[(4-methylphenyl)methyl]-4-oxo-3-(2-propen-1-yl)-2-thiazolidinylidene]hydrazone5-(4-CHLOROPHENYL)-2-FURALDEHYDE [(2E)-3-ALLYL-5-(4-METHYLBENZYL)-4-OXO-1,3-THIAZOLIDIN-2-YLIDENE]HYDRAZONE2-Furancarboxaldehyde, 5-(4-chlorophenyl)-, 2-[5-[(4-methylphenyl)methyl]-4-oxo-3-(2-propen-1-yl)-2-thiazolidinylidene]hydrazone(2E)-2-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[(4-methylphenyl)methyl]-3-prop-2-enyl-1,3-thiazolidin-4-one
데이터베이스 식별자
- CAS
290839-62-2- PubChem CID
- 4271923
- DTXSID
DTXSID001103598
물성
구조 계산 물성
- XLogP
- 6.9
- 극성 표면적
- 83.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 714
물리화학적 성질
- 끓는 점
- 605.3 · 605.3±65.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.43 · -1.43±0.40(Predicted)
관련 반응
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