Ethyl {4-[2-(allyloxy)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl}(hydroxy)acetate

HCID 69672380

기본 정보

표준 SMILES
C=CCOc1cc(C)ccc1-c1c(C(O)C(=O)OCC)c(C)nc2sc3c(c12)CCCC3
InChIKey
GQQRKBZTYRZPKV-UHFFFAOYSA-N
분자식
C26H29NO4S
평균 분자량
451.6 g/mol

이름 및 식별자

우선 이름
Ethyl {4-[2-(allyloxy)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl}(hydroxy)acetate
IUPAC
ethyl 2-hydroxy-2-[2-methyl-4-(4-methyl-2-prop-2-enoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-b]pyridin-3-yl]acetate

이름 및 동의어

SCHEMBL6120556GQQRKBZTYRZPKV-UHFFFAOYSA-N[4-(2-allyloxy-4-methyl-phenyl)-2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-b]pyridin-3-yl]-hydroxy-acetic acid ethyl esterEthyl {4-[2-(allyloxy)-4-methylphenyl]-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-3-yl}(hydroxy)acetate

데이터베이스 식별자

PubChem CID
69672380

물성

구조 계산 물성

XLogP
6
극성 표면적
96.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
32

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8건

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