tert-Butyl 4-[1-({[5-cyano-1-[(2,4-dimethoxyphenyl)sulphonyl]-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]amino}carbonyl)piperidin-4-yl]piperazine-1-carboxylate
기본 정보
- 표준 SMILES
CCOc1ncccc1C1(NC(=O)N2CCC(N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2OC)c2ccc(C#N)cc21- InChIKey
PNYNPRKQKRFBTK-UHFFFAOYSA-N- 분자식
- C39H47N7O9S
- 평균 분자량
- 789.9 g/mol
- 단동위원소 질량
- 789.31559728
이름 및 식별자
- 우선 이름
- tert-Butyl 4-[1-({[5-cyano-1-[(2,4-dimethoxyphenyl)sulphonyl]-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]amino}carbonyl)piperidin-4-yl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[1-[[5-cyano-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxy-3-pyridinyl)-2-oxoindol-3-yl]carbamoyl]piperidin-4-yl]piperazine-1-carboxylate
이름 및 동의어
SCHEMBL1786815PNYNPRKQKRFBTK-UHFFFAOYSA-Ntert-butyl 4-[1-({[5-cyano-1-[(2,4-dimethoxyphenyl)sulphonyl]-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3,-dihydro-1H-indol-3-yl]amino}carbonyl)piperidin-4-yl]piperazine-1-carboxylatetert-Butyl 4-[1-({[5-cyano-1-[(2,4-dimethoxyphenyl)sulphonyl]-3-(2-ethoxypyridin-3-yl)-2-oxo-2,3-dihydro-1H-indol-3-yl]amino}carbonyl)piperidin-4-yl]piperazine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 67160388
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 192 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,560
관련 반응
4건
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