기본 정보
- 표준 SMILES
Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F- InChIKey
QYCIRQBSFLMTFW-UHFFFAOYSA-N- 분자식
- C29H32ClF3N4O3
- 평균 분자량
- 577 g/mol
이름 및 식별자
- 우선 이름
- 2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-n-({6-[(tert-butoxy)carbonylamino]-2,4-dimethyl(3-pyridyl)}methyl) acetamide
- IUPAC
- tert-butyl N-[5-[[[2-[6-chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetyl]amino]methyl]-4,6-dimethyl-2-pyridinyl]carbamate
이름 및 동의어
2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-n-({6-[(tert-butoxy)carbonylamino]-2,4-dimethyl(3-pyridyl)}methyl) acetamideSCHEMBL60577572-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl }-N-({6-[(tert-butoxy) carbonylamino]-2,4-dimethyl(3-pyridyl)}methyl) acetamide2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-N-({6-[(tert-butoxy) carbonylamino]-2,4-dimethyl(3-pyridyl)}methyl) acetamide2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-N-({6-[(tert-butoxy)carbonylamino]- 2,4-dimethyl(3-pyridyl)}methyl) acetamide2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}-N-({6-[(tert-butoxy)carbonylamino]-2,4-dimethyl(3-pyridyl)}methyl)acetamide
데이터베이스 식별자
- PubChem CID
- 22475356
물성
구조 계산 물성
- XLogP
- 6.1
- 극성 표면적
- 92.4 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 840
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4건
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