기본 정보
- CAS
352660-49-2- 표준 SMILES
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1CSc1nc2ccccc2s1- InChIKey
WIJAYUJUVGGHFM-UHFFFAOYSA-N- 분자식
- C30H25N3O2S2
- 평균 분자량
- 523.7 g/mol
이름 및 식별자
- 우선 이름
- 2-[3-(1,3-Benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
- IUPAC
- 2-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
- 영어명
- 2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-methylphenyl)-2,3-dihydro-4(1H)-quinazolinone
- 분자식
- C30H25N3O2S2
- 분자량
- 523.67
이름 및 동의어
352660-49-22-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4-methoxyphenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one2-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-methylphenyl)-2,3-dihydroquinazolin-4(1H)-oneSTK996904AKOS001649574AKOS0219969642-{3-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-4-methoxyphenyl}-3-(4-methylphenyl)-2,3-dihydro-4(1H)-quinazolinoneAJ-292/15006060SR-01000486208SR-01000486208-12-(3-((benzo[d]thiazol-2-ylthio)methyl)-4-methoxyphenyl)-3-(p-tolyl)-2,3-dihydroquinazolin-4(1H)-one2-{3-[(1,3-BENZOTHIAZOL-2-YLSULFANYL)METHYL]-4-METHOXYPHENYL}-3-(4-METHYLPHENYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-4-ONE
이름 더 보기
4(1H)-Quinazolinone, 2-[3-[(2-benzothiazolylthio)methyl]-4-methoxyphenyl]-2,3-dihydro-3-(4-methylphenyl)-
물성
구조 계산 물성
- XLogP
- 7.5
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 778
물리화학적 성질
- 끓는 점
- 747.9 · 747.9±70.0 °C(Predicted)
- 밀도
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.63 · 0.63±0.40(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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