2-{3-[3-(1-{[tert-Butyl(diphenyl)silyl]oxy}-2-methylpropan-2-yl)-5-({[(1S,4R)-4-({3-[(2S)-2-methylpiperidin-1-yl][1,2,4]triazolo[4,3-a]pyridin-6-yl}oxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}amino)-1H-pyrazol-1-yl]phenoxy}ethyl methanesulfonate
기본 정보
- 표준 SMILES
C[C@H]1CCCCN1c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)CO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)nn4-c4cccc(OCCOS(C)(=O)=O)c4)c4ccccc43)cn12- InChIKey
CZQFJSIWOHPLTB-KKSGMKDCSA-N- 분자식
- C55H66N8O7SSi
- 평균 분자량
- 1,011.3 g/mol
- 단동위원소 질량
- 1,010.45444418
이름 및 식별자
- 우선 이름
- 2-{3-[3-(1-{[tert-Butyl(diphenyl)silyl]oxy}-2-methylpropan-2-yl)-5-({[(1S,4R)-4-({3-[(2S)-2-methylpiperidin-1-yl][1,2,4]triazolo[4,3-a]pyridin-6-yl}oxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}amino)-1H-pyrazol-1-yl]phenoxy}ethyl methanesulfonate
- IUPAC
- 2-[3-[3-[1-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-2-yl]-5-[[(1S,4R)-4-[[3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]pyrazol-1-yl]phenoxy]ethyl methanesulfonate
이름 및 동의어
SCHEMBL15008477CZQFJSIWOHPLTB-KKSGMKDCSA-N2-{3-[3-(1-{[tert-Butyl(diphenyl)silyl]oxy}-2-methylpropan-2-yl)-5-({[(1S,4R)-4-({3-[(2S)-2-methylpiperidin-1-yl][1,2,4]triazolo[4,3-a]pyridin-6-yl}oxy)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl}amino)-1H-pyrazol-1-yl]phenoxy}ethyl methanesulfonate
데이터베이스 식별자
- PubChem CID
- 86687289
물성
구조 계산 물성
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 72
- 형식 전하
- 0
- 복잡도
- 1,830
관련 반응
7건
화합물 노트
불러오는 중…