tert-Butyl ({4-fluoro-5-(2-fluoropyridin-3-yl)-1-[(4-methylpyridin-2-yl)sulfonyl]-1H-pyrrol-3-yl}methyl)methylcarbamate

HCID 67178433

기본 정보

CAS
1210867-90-5
표준 SMILES
Cc1ccnc(S(=O)(=O)n2cc(CN(C)C(=O)OC(C)(C)C)c(F)c2-c2cccnc2F)c1
InChIKey
YUDGIBXYECZVHX-UHFFFAOYSA-N
분자식
C22H24F2N4O4S
평균 분자량
478.5 g/mol
단동위원소 질량
478.14863276

이름 및 식별자

우선 이름
tert-Butyl ({4-fluoro-5-(2-fluoropyridin-3-yl)-1-[(4-methylpyridin-2-yl)sulfonyl]-1H-pyrrol-3-yl}methyl)methylcarbamate
IUPAC
tert-butyl N-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(4-methyl-2-pyridinyl)sulfonyl]pyrrol-3-yl]methyl]-N-methylcarbamate

이름 및 동의어

SCHEMBL1834859YUDGIBXYECZVHX-UHFFFAOYSA-NDTXSID6011026051,1-Dimethylethyl N-[[4-fluoro-5-(2-fluoro-3-pyridinyl)-1-[(4-methyl-2-pyridinyl)sulfonyl]-1H-pyrrol-3-yl]methyl]-N-methylcarbamate1210867-90-5tert-Butyl ({4-fluoro-5-(2-fluoropyridin-3-yl)-1-[(4-methylpyridin-2-yl)sulfonyl]-1H-pyrrol-3-yl}methyl)methylcarbamate

데이터베이스 식별자

CAS
1210867-90-5
PubChem CID
67178433
DTXSID
DTXSID601102605

물성

구조 계산 물성

XLogP
3.3
극성 표면적
103 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
33

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