기본 정보
- CAS
303987-73-7- 표준 SMILES
CN1c2ccsc2C(O)=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O- InChIKey
RVBLCBILDONHIO-UHFFFAOYSA-N- 분자식
- C15H11F3N2O4S2
- 평균 분자량
- 404.4 g/mol
이름 및 식별자
- 우선 이름
- 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
- IUPAC
- 4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide
- 영어명
- 4-Hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
- 분자식
- C15H11F3N2O4S2
- 분자량
- 404.38
이름 및 동의어
303987-73-74-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]thieno[3,2-c]thiazine-3-carboxamide4-Hydroxy-1-methyl-N-(3-(trifluoromethyl)phenyl)-1H-thieno[3,2-c][1,2]thiazine-3-carboxamide 2,2-dioxideAKOS00507858811N-380S4-hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2lambda~6~-thieno[3,2-c][1,2]thiazine-3-carboxamide1H-Thieno[3,2-c][1,2]thiazine-3-carboxamide, 4-hydroxy-1-methyl-N-[3-(trifluoromethyl)phenyl]-, 2,2-dioxide4-Hydroxy-1-methyl-2,2-dioxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydro-2lambda6-thieno[3,2-c][1,2]thiazine-3-carboxamide
데이터베이스 식별자
- CAS
303987-73-7
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 717
물리화학적 성질
- 밀도
- 1.672 · 1.672±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
화학 및 산업
공급사2 곳
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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