기본 정보
- CAS
377061-90-0- 표준 SMILES
Cc1ccc2nc(-c3ccc(NC(=O)c4c(O)c5ccccc5n(C)c4=O)cc3)sc2c1- InChIKey
GDGWRQSFYHYHDX-UHFFFAOYSA-N- 분자식
- C25H19N3O3S
- 평균 분자량
- 441.5 g/mol
- 단동위원소 질량
- 441.11471265
이름 및 식별자
- 우선 이름
- 4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxo-1,2-dihydro-3-quinolinecarboxamide
- IUPAC
- 4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoquinoline-3-carboxamide
- 영어명
- 4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoquinoline-3-carboxamide
- 분자식
- C25H19N3O3S
- 분자량
- 441.5
이름 및 동의어
STK527138STL559410AKOS005460509AKOS037516435ST512220792-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide4-hydroxy-1-methyl-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxo-1,2-dihydro-3-quinolinecarboxamide4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxo-1,2-dihydroquinoline-3-carboxamide4-hydroxy-1-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-oxoquinoline-3-carboxamide3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-1-methyl-N-[4-(6-methyl-2-benzothiazolyl)phenyl]-2-oxo-
데이터베이스 식별자
- CAS
377061-90-0- PubChem CID
- 54688152
- EC Number
- 120-679-8
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 778
물리화학적 성질
- 밀도
- 1.437 · 1.437±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.5 · 4.50±1.00(Predicted)
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