5-Isothiazolecarboxamide, 3,4-dichloro-N-(2-cyanophenyl)-, mixt. with 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, 2-[2-chloro-4-(methylsulfonyl)-3-[[(tetrahydro-2-furanyl)methoxy]methyl]benzoyl]-1,3-cyclohexanedione and N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
기본 정보
- CAS
2231802-12-1- 표준 SMILES
COc1nc(OC)nc(C(=O)c2cccc(F)c2N(C)S(=O)(=O)C(F)F)n1.CS(=O)(=O)c1ccc(C(=O)C2C(=O)CCCC2=O)c(Cl)c1COCC1CCCO1.N#Cc1ccccc1NC(=O)c1snc(Cl)c1Cl.O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O- InChIKey
UULBNJUCNPXEKF-UHFFFAOYSA-N- 분자식
- C58H49Cl5F3N9O17S3
- 평균 분자량
- 1,474.5 g/mol
- 단동위원소 질량
- 1,471.080328
이름 및 식별자
- 우선 이름
- 5-Isothiazolecarboxamide, 3,4-dichloro-N-(2-cyanophenyl)-, mixt. with 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, 2-[2-chloro-4-(methylsulfonyl)-3-[[(tetrahydro-2-furanyl)methoxy]methyl]benzoyl]-1,3-cyclohexanedione and N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
- IUPAC
- 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide;2-[2-chloro-4-methylsulfonyl-3-(oxolan-2-ylmethoxymethyl)benzoyl]cyclohexane-1,3-dione;3,4-dichloro-N-(2-cyanophenyl)-1,2-thiazole-5-carboxamide;N-[2-(4,6-dimethoxy-1,3,5-triazine-2-carbonyl)-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
이름 및 동의어
DTXSID1013792372231802-12-15-Isothiazolecarboxamide, 3,4-dichloro-N-(2-cyanophenyl)-, mixt. with 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide, 2-[2-chloro-4-(methylsulfonyl)-3-[[(tetrahydro-2-furanyl)methoxy]methyl]benzoyl]-1,3-cyclohexanedione and N-[2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbonyl]-6-fluorophenyl]-1,1-difluoro-N-methylmethanesulfonamide
데이터베이스 식별자
- CAS
2231802-12-1- PubChem CID
- 177844561
- DTXSID
DTXSID101379237
물성
구조 계산 물성
- 극성 표면적
- 421 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 27
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 95
- 형식 전하
- 0
- 복잡도
- 2,110
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