Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

HCID 5282569
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCOC(=O)c1c(C(O)c2ccnc3ccccc23)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey
VNOAVTKQQVMBJH-UHFFFAOYSA-N
분자식
C24H25N3O5S
평균 분자량
467.5 g/mol
단동위원소 질량
467.15149208

이름 및 식별자

우선 이름
Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
IUPAC
ethyl 6-[hydroxy(quinolin-4-yl)methyl]-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

이름 및 동의어

Ethyl 1,2,3,4-tetrahydro-6-(hydroxy-4-quinolinylmethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylateSCHEMBL4804329VNOAVTKQQVMBJH-UHFFFAOYSA-NEthyl 1,2,3,4-tetrahydro-6-(hydroxy 4-quinolinyl-methyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateEthyl 1,2,3,4-tetrahydro-6[hydroxy (4-quinolinyl)methyl]-3-methyl-1-(isobutyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID
5282569

물성

구조 계산 물성

XLogP
3.5
극성 표면적
128 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
7
무거운 원자 수
33

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3건
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