(S)-tert-butyl ((3-(prop-1-yn-1-yl)pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamate

HCID 86687953

기본 정보

표준 SMILES
CC#Cc1cccnc1[C@@H](NC(=O)OC(C)(C)C)c1ccc(C(F)(F)F)cc1
InChIKey
KVYFMBVHRZRDPA-SFHVURJKSA-N
분자식
C21H21F3N2O2
평균 분자량
390.4 g/mol

이름 및 식별자

우선 이름
(S)-tert-butyl ((3-(prop-1-yn-1-yl)pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamate
IUPAC
tert-butyl N-[(S)-(3-prop-1-ynyl-2-pyridinyl)-[4-(trifluoromethyl)phenyl]methyl]carbamate

이름 및 동의어

(S)-tert-butyl ((3-(prop-1-yn-1-yl)pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamateSCHEMBL15041030(S)-tert-butyl((3-(prop-1-yn-1-yl)pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamate(S)-tert-butyl ((3-(prop-1-yn-1-yl)-pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamate(S)-tert-butyl((3-(prop-1-yn-1-yl)-pyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)carbamate

데이터베이스 식별자

PubChem CID
86687953

물성

구조 계산 물성

XLogP
4.7
극성 표면적
51.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
28

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6건

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