tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(tert-butoxy)carbonyl]carbamate

HCID 58070394

기본 정보

표준 SMILES
C#Cc1nc(Br)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChIKey
PLHJZPJJSJPZJV-UHFFFAOYSA-N
분자식
C16H20BrN3O4
평균 분자량
398.25 g/mol

이름 및 식별자

우선 이름
tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(tert-butoxy)carbonyl]carbamate
IUPAC
tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

이름 및 동의어

1232423-55-0tert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-(tert-butoxycarbonyl)carbamatetert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(tert-butoxy)carbonyl]carbamateDitert-butyl 5-bromo-3-ethynylpyrazin-2-ylcarbamateImidodicarbonic acid, 2-(5-bromo-3-ethynyl-2-pyrazinyl)-, 1,3-bis(1,1-dimethylethyl) estertert-butyl N-(5-bromo-3-ethynylpyrazin-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamatetert-butyl N-(5-bromo-3-ethynyl-pyrazin-2-yl)-N-tert-butoxycarbonyl-carbamateMFCD26393897C16H20BrN3O4SCHEMBL506789SCHEMBL31349701PLHJZPJJSJPZJV-UHFFFAOYSA-N
이름 더 보기
CS-M3194EOS-61576AKOS037650528CS-14929DB-327493Ditert-butyl5-bromo-3-ethynylpyrazin-2-ylcarbamateF790093tert-butyl (5-bromo-3-ethynylpyrazin-2-yl)(tert-butoxycarbonyl)carbamate

데이터베이스 식별자

PubChem CID
58070394

물성

구조 계산 물성

XLogP
3.3
극성 표면적
81.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
6
무거운 원자 수
24

관련 반응

12건

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