(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl) ethynyl)-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamide

HCID 89754958
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기본 정보

표준 SMILES
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)c(C(F)(F)F)c2CCO3)C1=O
InChIKey
DQSPPIIGNCVKFO-IBGZPJMESA-N
분자식
C20H17F3N4O4
평균 분자량
434.4 g/mol

이름 및 식별자

우선 이름
(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl) ethynyl)-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamide
IUPAC
9-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,1-d][1,5]benzoxazepine-2-carboxamide

이름 및 동의어

(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl) ethynyl)-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamideCHEMBL3700183SCHEMBL15193311BDBM159025US9034866, 500(R)-9-((3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)ethynyl)-3-(trifluoromethyl)-4,5-dihydrobenzo[b]pyrazolo[1,5-d][1,4]oxazepine-2-carboxamide

데이터베이스 식별자

PubChem CID
89754958
ChEMBL
CHEMBL3700183

물성

구조 계산 물성

XLogP
1.2
극성 표면적
111 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
3
무거운 원자 수
31

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