(+)n-[(1S)-1-(aminocarbonyl)ethyl]-3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6h)-yl]-4-methylbenzamide
기본 정보
- 표준 SMILES
Cc1ccc(C(=O)N[C@@H](C)C(N)=O)cc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O- InChIKey
AZCVMYHSPPVUGZ-LBPRGKRZSA-N- 분자식
- C23H21BrF2N4O4
- 평균 분자량
- 535.3 g/mol
이름 및 식별자
- 우선 이름
- (+)n-[(1S)-1-(aminocarbonyl)ethyl]-3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6h)-yl]-4-methylbenzamide
- IUPAC
- N-[(2S)-1-amino-1-oxopropan-2-yl]-3-[5-bromo-4-[(2,4-difluorophenyl)methoxy]-2-methyl-6-oxopyrimidin-1-yl]-4-methylbenzamide
이름 및 동의어
SCHEMBL3527805AZCVMYHSPPVUGZ-LBPRGKRZSA-N(+)n-[(1S)-1-(aminocarbonyl)ethyl]-3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6h)-yl]-4-methylbenzamide(+/-) N-[(1S)-1-(aminocarbonyl)ethyl]-3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-4-methylbenzamide(+/-)N-[(1S)-1-(aminocarbonyl)ethyl]-3-[5-bromo-4-[(2,4-difluorobenzyl)oxy]-2-methyl-6-oxopyrimidin-1(6H)-yl]-4-methylbenzamide
데이터베이스 식별자
- PubChem CID
- 21089027
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 883
관련 반응
2건
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