기본 정보
- CAS
403990-79-4- 표준 SMILES
Cc1c(NC(=O)CSc2nnc(C(C)Oc3ccc(Cl)cc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C- InChIKey
PICTXBXMOXWNGL-UHFFFAOYSA-N- 분자식
- C29H27ClN6O3S
- 평균 분자량
- 575.1 g/mol
- 단동위원소 질량
- 574.1553876
이름 및 식별자
- 우선 이름
- 2-[[5-[1-(4-chlorophenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
- IUPAC
- 2-[[5-[1-(4-chlorophenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
- 영어명
- 2-({5-[1-(4-chlorophenoxy)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
- 분자식
- C29H27ClN6O3S
- 분자량
- 575.08108
이름 및 동의어
403990-79-42-[[5-[1-(4-chlorophenoxy)ethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide2-({5-[1-(4-chlorophenoxy)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamideSMR000160363MLS000545434orb1694989CHEMBL1572419SCHEMBL28880287REGID_for_CID_3418823HMS2453G14AKOS0407542742-[5-[1-(4-Chlorophenoxy)ethyl]-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
이름 더 보기
2-((5-(1-(4-chlorophenoxy)ethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-((1,5-dimethyl-3)-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)acetamide
T34963AL-182/15347004
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 919
화학 및 산업
공급사5 곳
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
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陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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