기본 정보
- 표준 SMILES
COC(=O)C1=C(O)c2sc3ccccc3c2S(=O)(=O)N1C- InChIKey
WXEFWKWOTRHRJM-UHFFFAOYSA-N- 분자식
- C13H11NO5S2
- 평균 분자량
- 325.4 g/mol
이름 및 식별자
- 우선 이름
- 3-carbomethoxy-4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine 1,1-dioxide
- IUPAC
- methyl 4-hydroxy-2-methyl-1,1-dioxo-[1]benzothiolo[2,3-e]thiazine-3-carboxylate
이름 및 동의어
SCHEMBL10964363WXEFWKWOTRHRJM-UHFFFAOYSA-N3-carbomethoxy-4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine 1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1] benzothieno [2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1]-benzothieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H-[1]benzothieno-[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxideMethyl 4-hydroxy-2-methyl-2H-[1]benzothieno[2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxidemethyl 4-hydroxy-2-methyl-2H[1] benzothieno [2,3-e]-1,2-thiazine-3-carboxylate-1,1-dioxide
데이터베이스 식별자
- PubChem CID
- 54707259
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 594
관련 반응
32건
화합물 노트
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