(2-(5-((3-cyano-4-fluorophenyl)carbamoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl)-N-(3-ethynyloxetan-3-yl)-2-oxoacetamido)methyl dihydrogen phosphate
기본 정보
- CAS
2495324-71-3- 표준 SMILES
C#CC1(N(COP(=O)(O)O)C(=O)C(=O)c2c(C)c(C(=O)Nc3ccc(F)c(C#N)c3)n(C)c2C)COC1- InChIKey
ATLWUNMDEZYXQJ-UHFFFAOYSA-N- 분자식
- C23H22FN4O8P
- 평균 분자량
- 532.4 g/mol
- 단동위원소 질량
- 532.11592883
이름 및 식별자
- 우선 이름
- (2-(5-((3-cyano-4-fluorophenyl)carbamoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl)-N-(3-ethynyloxetan-3-yl)-2-oxoacetamido)methyl dihydrogen phosphate
- IUPAC
- [[2-[5-[(3-cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl dihydrogen phosphate
이름 및 동의어
2495324-71-3Pevifoscorvir (USAN)PEVIFOSCORVIR [USAN]PevifoscorvirG9Q8YSG7DDALG000184 free acidALG-000184 free acidCHEMBL6198113SCHEMBL22501422(2-(5-((3-cyano-4-fluorophenyl)carbamoyl)-1,2,4-trimethyl-1H-pyrrol-3-yl)-N-(3-ethynyloxetan-3-yl)-2-oxoacetamido)methyl dihydrogen phosphateD13330[[2-[5-[(3-Cyano-4-fluorophenyl)carbamoyl]-1,2,4-trimethylpyrrol-3-yl]-2-oxoacetyl]-(3-ethynyloxetan-3-yl)amino]methyl dihydrogen phosphate
이름 더 보기
1H-Pyrrole-3-acetamide, 5-[[(3-cyano-4-fluorophenyl)amino]carbonyl]-N-(3-ethynyl-3-oxetanyl)-1,2,4-trimethyl-alpha-oxo-N-[(phosphonooxy)methyl]-5-[[(3-Cyano-4-fluorophenyl)amino]carbonyl]-N-(3-ethynyl-3-oxetanyl)-1,2,4-trimethyl-alpha-oxo-N-[(phosphonooxy)methyl]-1H-pyrrole-3-acetamide
데이터베이스 식별자
- CAS
2495324-71-3- PubChem CID
- 155169288
- ChEMBL
CHEMBL6198113- UNII
물성
구조 계산 물성
- XLogP
- -0.3
- 극성 표면적
- 171 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 1,080
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