기본 정보
- 표준 SMILES
COCCOCN(c1onc(C)c1Cl)S(=O)(=O)c1c(C(O)c2ccc3c(c2)OCO3)sc2ncccc12- InChIKey
QOHRWZJPATYMKW-UHFFFAOYSA-N- 분자식
- C23H22ClN3O8S2
- 평균 분자량
- 568 g/mol
이름 및 식별자
- 우선 이름
- N-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-(alpha-hydroxy-3,4-(methylenedioxy) benzyl]-thieno [2,3-b]pyridine-3-sulfonamide
- IUPAC
- 2-[1,3-benzodioxol-5-yl(hydroxy)methyl]-N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-N-(2-methoxyethoxymethyl)thieno[2,3-b]pyridine-3-sulfonamide
이름 및 동의어
SCHEMBL7014715QOHRWZJPATYMKW-UHFFFAOYSA-NN-(4-chloro-3-methyl-5-isoxazolyl)-N-( methoxyethoxymethyl)-2-[alpha-hydroxy-3,4-(methylenedioxy)benzyl]thieno[2,3-b]-pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2 -(alpha-hydroxy-3,4-(methylenedioxy) benzyl]-thieno [2,3-b]pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-(alpha-hydroxy-3,4-(methylenedioxy) benzyl]-thieno [2,3-b]pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-(alpha-hydroxy-3,4-(methylenedioxy)benzyl]-thieno[2,3-b]pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-[alpha-hydroxy-3,4-(methylenedioxy)benzyl]thieno-[2,3-b]pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-[alpha-hydroxy-3,4-(methylenedioxy)benzyl]thieno[2,3-b]-pyridine-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-N-(methoxyethoxymethyl)-2-[alpha-hydroxy-3,4-(methylenedioxy)benzyl]thieno[2,3-b]pyridine-3-sulfonamide
데이터베이스 식별자
- PubChem CID
- 54238526
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 170 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 869
관련 반응
9건
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