기본 정보
- 표준 SMILES
C#Cc1nc(-c2ccc(S(=O)(=O)C(C)C)cc2)cnc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C- InChIKey
JYQCDOZYEPKDKU-UHFFFAOYSA-N- 분자식
- C25H31N3O6S
- 평균 분자량
- 501.6 g/mol
- 단동위원소 질량
- 501.19335689
이름 및 식별자
- 우선 이름
- N,N-Di(Boc)-3-ethynyl-5-[4-(isopropylsulfonyl)phenyl]pyrazin-2-amine
- IUPAC
- tert-butyl N-[3-ethynyl-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
이름 및 동의어
1232423-98-1N,N-Di(Boc)-3-ethynyl-5-[4-(isopropylsulfonyl)phenyl]pyrazin-2-aminetert-Butyl (tert-butoxycarbonyl)(3-ethynyl-5-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)carbamateSCHEMBL667542JYQCDOZYEPKDKU-UHFFFAOYSA-NSY295095t-butyl(t-butoxycarbonyl)(3-ethynyl-5-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)carbamatetert-butyl n-(3-ethynyl-5-(4-(isopropylsulfonyl)phenyl)pyrazin-2-yl)n-tert-butoxycarbonyl-carbamatetert-butyl N-[5-(4-(isopropylsulfonyl)phenyl)-3-ethynylpyrazin-2-yl]-N-tertbutoxycarbonyl-carbamatetert-Butyl N-tert-butoxycarbonyl-N-[3-ethynyl-5-(4-isopropylsulfonylphenyl) pyrazin-2-yl]carbamatetert-Butyl N-tert-butoxycarbonyl-N-[3-ethynyl-5-(4-isopropylsulfonylphenyl)pyrazin-2-yl]carbamate
데이터베이스 식별자
- PubChem CID
- 59471983
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 124 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 884
관련 반응
14건
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