2-[1-(1,3-Benzothiazol-2-yl)-2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
기본 정보
- CAS
374559-66-7- 표준 SMILES
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1- InChIKey
UFLQZCXQBBNAEB-UHFFFAOYSA-N- 분자식
- C31H27N5S2
- 평균 분자량
- 533.7 g/mol
이름 및 식별자
- 우선 이름
- 2-[1-(1,3-Benzothiazol-2-yl)-2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
- IUPAC
- 2-[1-(1,3-benzothiazol-2-yl)-2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazole
- 영어명
- 2-{1-(1,3-benzothiazol-2-yl)-2-[3-methyl-1-phenyl-5-(1-piperidinyl)-1H-pyrazol-4-yl]vinyl}-1,3-benzothiazole
- 분자식
- C31H27N5S2
- 분자량
- 533.70958
이름 및 동의어
AKOS0010120702-[1-(1,3-benzothiazol-2-yl)-2-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)ethenyl]-1,3-benzothiazoleAF-399/14662004SR-01000506696SR-01000506696-1Z460782542-[1-(1,3-benzothiazol-2-yl)-2-(3-methyl-1-phenyl-5-piperidin-1-yl-1H-pyrazol-4-yl)vinyl]-1,3-benzothiazole2-[1-(1,3-BENZOTHIAZOL-2-YL)-2-[3-METHYL-1-PHENYL-5-(PIPERIDIN-1-YL)-1H-PYRAZOL-4-YL]ETHENYL]-1,3-BENZOTHIAZOLE2-{1-(1,3-benzothiazol-2-yl)-2-[3-methyl-1-phenyl-5-(1-piperidinyl)-1H-pyrazol-4-yl]vinyl}-1,3-benzothiazole
데이터베이스 식별자
- CAS
374559-66-7
물성
구조 계산 물성
- XLogP
- 8.7
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 793
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