기본 정보
- 표준 SMILES
CCOC(=O)c1cnc2c(c(C)nn2C)c1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1- InChIKey
SLVIRWTXXZITHI-UHFFFAOYSA-N- 분자식
- C25H26N4O5S
- 평균 분자량
- 494.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 4-[benzyl-(4-methoxybenzenesulfonyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b] pyridine-5-carboxylate
- IUPAC
- ethyl 4-[benzyl-(4-methoxyphenyl)sulfonylamino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
이름 및 동의어
SCHEMBL6290784SLVIRWTXXZITHI-UHFFFAOYSA-Nethyl 4-[benzyl-(4-methoxybenzene-sulfonyl) amino] -1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 4-[benzyl-(4-methoxybenzene-sulfonyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 4-[benzyl-(4-methoxybenzenesulfonyl) amino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateEthyl 4-[benzyl-(4-methoxybenzenesulfonyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b] pyridine-5-carboxylateEthyl 4-[benzyl-(4-methoxybenzenesulfonyl)amino]-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 22322112
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 807
관련 반응
13건
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