(R)-benzyl 5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-ylcarbamate

HCID 70241273
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기본 정보

표준 SMILES
O=C(N[C@@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)OCc1ccccc1
InChIKey
MVQZWDUJDGMEMK-HXUWFJFHSA-N
분자식
C23H22F3N3O3
평균 분자량
445.4 g/mol

이름 및 식별자

우선 이름
(R)-benzyl 5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-ylcarbamate
IUPAC
benzyl N-[(2R)-5-[[4-(hydroxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]methyl]-2,3-dihydro-1H-inden-2-yl]carbamate

이름 및 동의어

(R)-benzyl 5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-ylcarbamateSCHEMBL7966871(R)-benzyl-5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-ylcarbamate

데이터베이스 식별자

PubChem CID
70241273

물성

구조 계산 물성

XLogP
3.4
극성 표면적
76.4 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
32

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2건
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(R)-benzyl 5-((4-(hydroxymethyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)-2,3-dihydro-1H-inden-2-ylcarbamate (HCID 70241273)｜Huagongshe