N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
기본 정보
- CAS
957480-21-6- 표준 SMILES
CCc1c(C)sc(NC(=O)c2c(Cl)cnn2C)c1C(N)=O- InChIKey
FSJRHECEJSWZFE-UHFFFAOYSA-N- 분자식
- C13H15ClN4O2S
- 평균 분자량
- 326.8 g/mol
- 단동위원소 질량
- 326.0604246
이름 및 식별자
- 우선 이름
- N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamide
- IUPAC
- N-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-chloro-1-methylpyrazole-5-carboxamide
이름 및 동의어
957480-21-6N-[3-(Aminocarbonyl)-4-ethyl-5-methyl-2-thienyl]-4-chloro-1-methyl-1H-pyrazole-5-carboxamideN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-chloro-1-methyl-1H-pyrazole-5-carboxamideN-(3-carbamoyl-4-ethyl-5-methylthiophen-2-yl)-4-chloro-2-methylpyrazole-3-carboxamideDTXSID201120192STK480247AKOS003356867ST508687932-[(4-chloro-1-methylpyrazol-5-yl)carbonylamino]-4-ethyl-5-methylthiophene-3-c arboxamide
데이터베이스 식별자
- CAS
957480-21-6- PubChem CID
- 6464621
- DTXSID
DTXSID201120192
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 425
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