기본 정보
- CAS
618873-10-2- 표준 SMILES
COc1cc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nc3c(C)cc(C)cc3s2)ccc1OCCC(C)C- InChIKey
OUMGRERBGAAKRO-UHFFFAOYSA-N- 분자식
- C34H32N2O6S
- 평균 분자량
- 596.7 g/mol
- 단동위원소 질량
- 596.19810792
이름 및 식별자
- 우선 이름
- 3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
- IUPAC
- 3-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-one
- 영어명
- 4-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1,5-dihydro-2H-pyrrol-2-one
- 분자식
- C34H32N2O6S
- 분자량
- 596.69
이름 및 동의어
4-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1,5-dihydro-2H-pyrrol-2-oneSTK705713AKOS001098665AKOS016079744UPCMLD0ENAT5357831:0013-(1-benzofuran-2-carbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-2H-pyrrol-5-oneAF-399/42017531Z573882974-(1-benzofuran-2-ylcarbonyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1,5-dihydro-2H-pyrrol-2-one2H-Pyrrol-2-one, 4-(2-benzofuranylcarbonyl)-1-(4,6-dimethyl-2-benzothiazolyl)-1,5-dihydro-3-hydroxy-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-
데이터베이스 식별자
- CAS
618873-10-2- PubChem CID
- 4581963
물성
구조 계산 물성
- XLogP
- 8.4
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,070
물리화학적 성질
- 끓는 점
- 723.7 · 723.7±70.0 °C(Predicted)
- 밀도
- 1.33 · 1.330±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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