5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
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기본 정보
- CAS
321553-39-3- 표준 SMILES
COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)cc1- InChIKey
OKVWPKYABMPYLR-UHFFFAOYSA-N- 분자식
- C20H17ClF3N3O2S
- 평균 분자량
- 455.9 g/mol
- 단동위원소 질량
- 455.0682101
이름 및 식별자
- 우선 이름
- 5-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
- IUPAC
- 5-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
- 영어명
- 5-[(2-CHLOROBENZYL)SULFANYL]-N-(4-METHOXYPHENYL)-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXAMIDE
- 분자식
- C20H17ClF3N3O2S
- 분자량
- 455.88
이름 및 동의어
321553-39-35-[(2-chlorobenzyl)sulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide5-{[(2-chlorophenyl)methyl]sulfanyl}-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide5-[(2-chlorophenyl)methylsulfanyl]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamideSMR000169718MLS000325802CHEMBL1549949HMS2422L21AKOS0050875143F-342S5-((2-Chlorobenzyl)thio)-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide1H-Pyrazole-4-carboxamide, 5-[[(2-chlorophenyl)methyl]thio]-N-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-
데이터베이스 식별자
- CAS
321553-39-3- PubChem CID
- 1473686
- ChEMBL
CHEMBL1549949
물성
구조 계산 물성보충 중
- XLogP
- 4.9
- 극성 표면적
- 81.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 578
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