기본 정보
- 표준 SMILES
COC(=O)c1c(CBr)sc2c1c(=O)n(C)c(=O)n2CC(C)C- InChIKey
FAFMDAMSLFFIFX-UHFFFAOYSA-N- 분자식
- C14H17BrN2O4S
- 평균 분자량
- 389.27 g/mol
이름 및 식별자
- 우선 이름
- Methyl 6-bromomethyl-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
- IUPAC
- methyl 6-(bromomethyl)-3-methyl-1-(2-methylpropyl)-2,4-dioxothieno[2,3-d]pyrimidine-5-carboxylate
이름 및 동의어
SCHEMBL3827762FAFMDAMSLFFIFX-UHFFFAOYSA-N491614-00-7methyl 6-bromomethyl-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylateDB-320069Methyl 6-(bromomethyl)-1,2,3,4-tetrahydro-3-methyl-1-(2-methylpropyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylateMethyl 6-(bromomethyl)-1,2,3,4-tetrahydro-3-methyl-1-(isobutyl)-2,4-dioxo-thieno[2,3-d]pyrimidine-5-carboxylatemethyl 6-(bromomethyl)-1-isobutyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 16102871
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 95.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 487
관련 반응
7건
화합물 노트
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