Ethyl 2-[2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
기본 정보
- CAS
311787-54-9- 표준 SMILES
CCOC(=O)c1c(NC(=O)C(CC)OC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)sc2c1CCCC2- InChIKey
COXINRNHOJGKMT-UHFFFAOYSA-N- 분자식
- C25H25N3O9S
- 평균 분자량
- 543.5 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-({2-[({4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}acetyl)oxy]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C25H25N3O9S
- 분자량
- 543.5457
이름 및 동의어
ethyl 2-({2-[({4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl}acetyl)oxy]butanoyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-[(2-{[(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]oxy}butanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_193531STK673736AKOS005593422ethyl 2-[2-[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]oxybutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAG-205/37047251SR-01000517589SR-01000517589-1ETHYL 2-[(2-{[2-(4-NITRO-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)ACETYL]OXY}BUTANOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
데이터베이스 식별자
- CAS
311787-54-9
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 193 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 986
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