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
- 형식 전하
- 0
- 복잡도
- 502
관련 반응
12건
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