5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-phenylsulfanyl-5H-furan-2-one

HCID 15461522

기본 정보

표준 SMILES
CC1(O)OC(=O)C(Sc2ccccc2)=C1c1ccc(S(C)(=O)=O)cc1
InChIKey
BJXHPQCXFDPUCE-UHFFFAOYSA-N
분자식
C18H16O5S2
평균 분자량
376.5 g/mol

이름 및 식별자

우선 이름
5-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-phenylsulfanyl-5H-furan-2-one
IUPAC
5-hydroxy-5-methyl-4-(4-methylsulfonylphenyl)-3-phenylsulfanylfuran-2-one

이름 및 동의어

CHEMBL18377SCHEMBL7491749BJXHPQCXFDPUCE-UHFFFAOYSA-NBDBM501256295-Hydroxy-4-(4-methanesulfonyl-phenyl)-5-methyl-3-phenylsulfanyl-5H-furan-2-one5-Hydroxy-5-methyl-4(4- (methylsulfonyl)phenyl)-3-phenylthio-5H-furan-2-one5-Hydroxy-5-methyl-4-(4-(methylsulfonyl)phenyl)-3-phenylthio-5 H-furan-2-one5-hydroxy-5-methyl-4-(4-(methylsulfonyl)phenyl)-3-phenylthio-5h-furan-2-one

데이터베이스 식별자

PubChem CID
15461522
ChEMBL
CHEMBL18377
Nikkaji
J2.014.038K

물성

구조 계산 물성

XLogP
2.5
극성 표면적
114 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
4
무거운 원자 수
25

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6건

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