[1-amino(4-{[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl](5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]amino}phenyl)methylene]carbamic acid 2-methylallyl ester

HCID 136334036

기본 정보

표준 SMILES
C=C(C)COC(=O)N=C(N)c1ccc(N[C@@H](c2nn(-c3ncccn3)c(=O)[nH]2)c2cc(OC)cc(OCCO)c2F)cc1
InChIKey
AFCJVBIBNYYUSU-HSZRJFAPSA-N
분자식
C28H29FN8O6
평균 분자량
592.6 g/mol

이름 및 식별자

우선 이름
[1-amino(4-{[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl](5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]amino}phenyl)methylene]carbamic acid 2-methylallyl ester
IUPAC
2-methylprop-2-enyl N-[amino-[4-[[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl]-(5-oxo-1-pyrimidin-2-yl-4H-1,2,4-triazol-3-yl)methyl]amino]phenyl]methylidene]carbamate

이름 및 동의어

AFCJVBIBNYYUSU-HSZRJFAPSA-N[1-amino(4-{[(R)-[2-fluoro-3-(2-hydroxyethoxy)-5-methoxyphenyl](5-oxo-1-pyrimidin-2-yl-4,5-dihydro-1H-[1,2,4]-triazol-3-yl)methyl]amino}phenyl)methylene]carbamic acid 2-methylallyl ester

데이터베이스 식별자

PubChem CID
136334036

물성

구조 계산 물성

XLogP
3.5
극성 표면적
186 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
11
회전 가능 결합 수
13
무거운 원자 수
43

관련 반응

4건

연결된 노트

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