(RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-S-(2-hydroxyethyl)-N-[2-(trimethylsilyl)ethylsulfonyl]sulfoximide
기본 정보
- 표준 SMILES
C[C@@H](Nc1nc(Nc2ccc(S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)cc2)ncc1Br)C(C)(C)O- InChIKey
SFGDJCXYZPGRTJ-LXAPUOBYSA-N- 분자식
- C22H36BrN5O5S2Si
- 평균 분자량
- 622.7 g/mol
- 단동위원소 질량
- 621.11105
이름 및 식별자
- 우선 이름
- (RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-S-(2-hydroxyethyl)-N-[2-(trimethylsilyl)ethylsulfonyl]sulfoximide
- IUPAC
- N-[[4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]phenyl]-(2-hydroxyethyl)-oxo-λ6-sulfanylidene]-2-trimethylsilylethanesulfonamide
이름 및 동의어
SCHEMBL3572568SFGDJCXYZPGRTJ-LXAPUOBYSA-N(RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)-amino]pyrimidin-2-yl}amino)phenyl]-S-(2-hydroxyethyl)-N-[2-(trimethylsilyl)-ethylsulfonyl]sulfoximide(RS)-S-[4-({5-bromo-4-[(R)-(2-hydroxy-1,2-dimethylpropyl)amino]pyrimidin-2-yl}amino)phenyl]-S-(2-hydroxyethyl)-N-[2-(trimethylsilyl)ethylsulfonyl]sulfoximide
데이터베이스 식별자
- PubChem CID
- 59674085
물성
구조 계산 물성
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 926
관련 반응
2건
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