기본 정보
- CAS
331760-27-1- 표준 SMILES
Cc1ccc(C2=NN(C(=N)SC3CC(=O)N(c4cccc(Br)c4)C3=O)C(c3ccc(Cl)cc3)C2)cc1- InChIKey
PRSXGASUMVDAPN-UHFFFAOYSA-N- 분자식
- C27H22BrClN4O2S
- 평균 분자량
- 581.9 g/mol
이름 및 식별자
- 우선 이름
- [1-(3-Bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
- IUPAC
- [1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioate
- 영어명
- 1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate
- 분자식
- C27H22BrClN4O2S
- 분자량
- 581.91
이름 및 동의어
1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioateSTK134933AKOS000585192AKOS022084994[1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl] 3-(4-chlorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazole-2-carboximidothioateAG-690/128846481-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate1-(3-bromophenyl)-2,5-dioxopyrrolidin-3-yl 5-(4-chlorophenyl)-3-(p-tolyl)-4,5-dihydro-1H-pyrazole-1-carbimidothioate331760-27-11H-Pyrazole-1-carboximidothioic acid, 5-(4-chlorophenyl)-4,5-dihydro-3-(4-methylphenyl)-, 1-(3-bromophenyl)-2,5-dioxo-3-pyrrolidinyl ester
데이터베이스 식별자
- CAS
331760-27-1
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 887
물리화학적 성질
- 끓는 점
- 749 · 749.0±70.0 °C(Predicted)
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.1 · 5.10±0.60(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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