기본 정보
- CAS
314766-10-4- 표준 SMILES
Cc1[nH]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cccc(Br)c1- InChIKey
CQCUCCDZHIKFMQ-UHFFFAOYSA-N- 분자식
- C19H14BrN5OS
- 평균 분자량
- 440.3 g/mol
- 단동위원소 질량
- 439.01024
이름 및 식별자
- 우선 이름
- 4-[(3-bromophenyl)hydrazono]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 4-[(3-bromophenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
이름 및 동의어
ZINC87574514-[(3-bromophenyl)hydrazono]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one4-[2-(3-Bromophenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-oneDTXSID601126047MFCD01027668STK099081ZINC08757451AKOS001611966AKOS002379109314766-10-4ZINC000100211495AN-329/11385001
이름 더 보기
Brc1cccc(c1)NN=C1C(=NN(C1=O)c1scc(n1)c1ccccc1)CCC1=NN(C(=O)C1=NNC2=CC(=CC=C2)Br)C3=NC(=CS3)C4=CC=CC=C4(4E)4((3bromophenyl)hydrazinylidene)5methyl2(4phenyl13thiazol2yl)pyrazol3one3-Methyl-1-(4-phenyl-2-thiazolyl)-1H-pyrazole-4,5-dione 4-[2-(3-bromophenyl)hydrazone]3METHYL1(4PHENYL13THIAZOL2YL)1HPYRAZOLE45DIONE4((3BROMOPHENYL)HYDRAZONE)4-[(3-bromophenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one(4E)-4-[(3-bromophenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-one(4E)-4-[2-(3-bromophenyl)hydrazinylidene]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-2,4-dihydro-3H-pyrazol-3-one
데이터베이스 식별자
- CAS
314766-10-4- PubChem CID
- 3656932
- DTXSID
DTXSID601126047
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 98.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 621
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