(2SR,4RS)-4-cyano-2-methyl-4-[3-[4-(2-methylimidazol-1-yl) phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran

HCID 18786347

기본 정보

표준 SMILES
Cc1nccn1-c1ccc(Sc2cccc(C3(C#N)CCOC(C)C3)c2)cc1
InChIKey
CIUMNJWNOIMPHU-UHFFFAOYSA-N
분자식
C23H23N3OS
평균 분자량
389.5 g/mol

이름 및 식별자

우선 이름
(2SR,4RS)-4-cyano-2-methyl-4-[3-[4-(2-methylimidazol-1-yl) phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran
IUPAC
2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenyl]sulfanylphenyl]oxane-4-carbonitrile

이름 및 동의어

SCHEMBL7802711CIUMNJWNOIMPHU-UHFFFAOYSA-N(2SR, 4RS)-4-Cyano-2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran(2SR,4RS)-4-cyano-2-methyl-4-[3-[4-(2 -methylimidazol-1-yl) phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran(2SR,4RS)-4-cyano-2-methyl-4-[3-[4-(2-methylimidazol-1-yl) phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran(2SR,4RS)-4-cyano-2-methyl-4-[3-[4-(2-methylimidazol-1-yl)phenylthio]phenyl]-3,4,5,6-tetrahydro-2H-pyran

데이터베이스 식별자

PubChem CID
18786347

물성

구조 계산 물성

XLogP
4.4
극성 표면적
76.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
28

관련 반응

6건

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