기본 정보
- CAS
315217-27-7- 표준 SMILES
CCn1c2ccccc2c2cc(C=NNC(=O)CSc3nnc(-c4ccc(OC)c(OC)c4)n3-c3ccccc3)ccc21- InChIKey
IOUHNLACSSVSQY-UHFFFAOYSA-N- 분자식
- C33H30N6O3S
- 평균 분자량
- 590.7 g/mol
이름 및 식별자
- 우선 이름
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(9-ethylcarbazol-3-yl)methylideneamino]acetamide
- IUPAC
- 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(9-ethylcarbazol-3-yl)methylideneamino]acetamide
- 영어명
- 2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(9-ethyl-9H-carbazol-3-yl)methylene]acetohydrazide
- 분자식
- C33H30N6O3S
- 분자량
- 590.7
이름 및 동의어
2-{[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(9-ethyl-9H-carbazol-3-yl)methylene]acetohydrazideAcetic acid, 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, 2-[(9-ethyl-9H-carbazol-3-yl)methylene]hydrazide2-{[5-(3,4-DIMETHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE]ACETOHYDRAZIDE2-{[5-(3,4-DIMETHOXYPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE]ACETOHYDRAZIDE
데이터베이스 식별자
- CAS
315217-27-7
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 936
물리화학적 성질
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.48 · 11.48±0.46(Predicted)
화학 및 산업
공급사3 곳
PHARMEKS Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SPECS[email protected]
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