기본 정보
- 표준 SMILES
CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2)c(O)c2cccnc21- InChIKey
CPLQQJNXYJHRQS-UHFFFAOYSA-N- 분자식
- C26H25N5O6S2
- 평균 분자량
- 567.6 g/mol
이름 및 식별자
- 우선 이름
- N-{3-[4-Hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}benzenesulfonamide
- IUPAC
- N-[3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,8-naphthyridin-3-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]benzenesulfonamide
이름 및 동의어
CHEMBL211408N-{3-[4-Hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8-naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}benzenesulfonamideSCHEMBL1523350CPLQQJNXYJHRQS-UHFFFAOYSA-NBDBM50186185N-[3-(4-hydroxy-1-isopentyl-2-oxo-1,8-naphthyridin-3-yl)-1,1-dioxo-4H-1$l^{6},2,4-benzothiadiazin-7-yl]benzenesulfonamideN-{3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-[1,8]naphthyridin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-7-yl}-benzenesulfonamideN-{3-[4-hydroxy-1-(3-methyl-butyl)-2-oxo-1,2-dihydro-quinolin-3-yl]-1,1-dioxo-1,4-dihydro-1lambda*6*-benzo[1,2,4]thiadiazin-7-yl}-benzenesulfonamideN-{3-[4-hydroxy-1-(3-methylbutyl)-2-oxo-1,2-dihydro-1,8- naphthyridin-3-yl]-1,1-dioxido-4H-1,2,4-benzothiadiazin-7-yl}benzenesulfonamide
데이터베이스 식별자
- PubChem CID
- 135541387
- ChEMBL
CHEMBL211408
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 175 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,210
관련 반응
2건
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