(R)-[3-[1-((R)-3-fluoro-pyrrolidine-1-carbonyl)-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazin-7-yl]-3-oxo-1-(2,4,5-trifluoro-benzyl)-propyl]-carbamic acid tert-butyl ester

HCID 57518448

기본 정보

표준 SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](F)C3)c2C1)Cc1cc(F)c(F)cc1F
InChIKey
OGHSXLAFNXDRDL-HZPDHXFCSA-N
분자식
C27H30F7N5O4
평균 분자량
621.5 g/mol

이름 및 식별자

우선 이름
(R)-[3-[1-((R)-3-fluoro-pyrrolidine-1-carbonyl)-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazin-7-yl]-3-oxo-1-(2,4,5-trifluoro-benzyl)-propyl]-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[(2R)-4-[1-[(3R)-3-fluoropyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate

이름 및 동의어

(R)-[3-[1-((R)-3-fluoro-pyrrolidine-1-carbonyl)-3-trifluoromethyl-5,6-dihydro-8H-imidazo[1,5-a]pyrazin-7-yl]-3-oxo-1-(2,4,5-trifluoro-benzyl)-propyl]-carbamic acid tert-butyl esterSCHEMBL2851631

데이터베이스 식별자

PubChem CID
57518448

물성

구조 계산 물성

XLogP
3.3
극성 표면적
96.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
12
회전 가능 결합 수
8
무거운 원자 수
43

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