기본 정보
- CAS
371952-63-5- 표준 SMILES
CCCc1[nH]n(-c2nc3ccccc3s2)c(=O)c1C=NCCc1ccccc1- InChIKey
WFPHNXAPZPGQJC-UHFFFAOYSA-N- 분자식
- C22H22N4OS
- 평균 분자량
- 390.5 g/mol
- 단동위원소 질량
- 390.15143251
이름 및 식별자
- 우선 이름
- 2-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
- IUPAC
- 2-(1,3-benzothiazol-2-yl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-one
- 영어명
- 2-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one
- 분자식
- C22H22N4OS
- 분자량
- 390.5
이름 및 동의어
353770-93-12-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)imino]methyl}-5-propyl-1,2-dihydro-3H-pyrazol-3-one(4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-phenylethylamino)methylidene]-5-propylpyrazol-3-one(E)-2-(benzo[d]thiazol-2-yl)-4-((phenethylimino)methyl)-5-propyl-1H-pyrazol-3(2H)-oneCBMicro_035512STK868353STL149660AKOS003649876AKOS005749342AKOS0305078842-(1,3-benzothiazol-2-yl)-4-(2-phenylethyliminomethyl)-5-propyl-1H-pyrazol-3-oneBIM-0035505.P001
이름 더 보기
3H-Pyrazol-3-one, 2-(2-benzothiazolyl)-1,2-dihydro-4-[[(2-phenylethyl)imino]methyl]-5-propyl-
AK-968/13146044(E)-1-(benzo[d]thiazol-2-yl)-4-((phenethylamino)methylene)-3-propyl-1H-pyrazol-5(4H)-one1-(1,3-benzothiazol-2-yl)-4-{(E)-[(2-phenylethyl)imino]methyl}-3-propyl-1H-pyrazol-5-ol(4E)-2-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one2-(1,3-benzothiazol-2-yl)-4-{[(2-phenylethyl)amino]methylidene}-5-propyl-2,4-dihydro-3H-pyrazol-3-one
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 85.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 614
물리화학적 성질
- 끓는 점
- 593.8 · 593.8±60.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.78 · 10.78±0.20(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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