1,1-Dimethylethyl 4-[5-(2-amino-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidinecarboxylate
기본 정보
- 표준 SMILES
CC(C)(C)OC(=O)N1CCC(c2nc(-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3F)c(-c3ccnc(N)n3)s2)CC1- InChIKey
ZOSYPOPKCDQMQB-UHFFFAOYSA-N- 분자식
- C29H29F3N6O4S2
- 평균 분자량
- 646.7 g/mol
이름 및 식별자
- 우선 이름
- 1,1-Dimethylethyl 4-[5-(2-amino-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[5-(2-aminopyrimidin-4-yl)-4-[3-[(2,6-difluorophenyl)sulfonylamino]-2-fluorophenyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
이름 및 동의어
SCHEMBL1127374ZOSYPOPKCDQMQB-UHFFFAOYSA-N1,1-dimethylethyl 4-[5-(2-amino-4-pyrimidinyl)-4-(3-{[(2,6-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-2-yl]-1-piperidinecarboxylatetert-butyl 4-(5-(2-aminopyrimidin-4-yl)-4-(3-(2,6-difluorophenylsulfonamido)-2-fluorophenyl)thiazol-2-yl)piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 57990080
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 177 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,080
관련 반응
14건
화합물 노트
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