Methyl 6-[2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-ylmethyl]-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylate (HCID 69197857)

기본 정보

표준 SMILES: COC(=O)c1c(Cn2c(=O)n(C)c3ccccc32)sc2c1c(=O)n(C)c(=O)n2CC(C)C
InChIKey: YMOKQYXWHJPSSP-UHFFFAOYSA-N
분자식: C22H24N4O5S
평균 분자량: 456.5 g/mol

이름 및 식별자

우선 이름: Methyl 6-[2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-ylmethyl]-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylate
IUPAC: methyl 3-methyl-6-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate

이름 및 동의어

SCHEMBL4804153YMOKQYXWHJPSSP-UHFFFAOYSA-NMethyl 6-[2,3-dihydro-3-methyl-2-oxo-1H-benzimidazol-1-ylmethyl]-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID: 69197857

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 119 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 32
형식 전하: 0
복잡도: 807

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