3-(3,5-Dimethoxyphenyl)-2-{4-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenoxy]-phenyl}-acrylic acid methyl ester

HCID 73197848

기본 정보

표준 SMILES
COC(=O)C(=Cc1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(C=C3SC(=O)NC3=O)cc2)cc1
InChIKey
NQMQMUPVBGQKSM-UHFFFAOYSA-N
분자식
C28H23NO7S
평균 분자량
517.6 g/mol

이름 및 식별자

우선 이름
3-(3,5-Dimethoxyphenyl)-2-{4-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenoxy]-phenyl}-acrylic acid methyl ester
IUPAC
methyl 3-(3,5-dimethoxyphenyl)-2-[4-[4-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]phenyl]prop-2-enoate

이름 및 동의어

SCHEMBL3793562NQMQMUPVBGQKSM-UHFFFAOYSA-N3-(3,5-dimethoxy-phenyl)-2-{4-[4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-phenoxy]-phenyl}-acrylic acid methyl ester3-(3,5-dimethoxy-phenyl)-2-{4-[4-(2,4-dioxo-thiazolidin-5-ylidenemethyl)-phenoxyl]-phenyl}-acrylic acid methyl ester3-(3,5-dimethoxy-phenyl)-2-{4-[4-(2,4-dioxo-thiazolidin-5-ylidenmethyl) -phenoxy]-phenyl}-acrylic acid methyl ester3-(3,5-Dimethoxyphenyl)-2-{4-[4-(2,4-dioxothiazolidin-5-ylidenemethyl)-phenoxy]-phenyl}-acrylic acid methyl ester

데이터베이스 식별자

PubChem CID
73197848

물성

구조 계산 물성

XLogP
5.6
극성 표면적
125 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
9
무거운 원자 수
37

관련 반응

12건

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