N-{(1S)-2-(2,5-difluorophenyl)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}-4-(1,4-dimethyl-1H-pyrazol-5-yl)-5-methyl-2-thiophenecarboxamide
기본 정보
- 표준 SMILES
Cc1cnn(C)c1-c1cc(C(=O)N[C@@H](Cc2cc(F)ccc2F)CN2C(=O)c3ccccc3C2=O)sc1C- InChIKey
PMFPMSFZLMLGCF-IBGZPJMESA-N- 분자식
- C28H24F2N4O3S
- 평균 분자량
- 534.6 g/mol
- 단동위원소 질량
- 534.15371814
이름 및 식별자
- 우선 이름
- N-{(1S)-2-(2,5-difluorophenyl)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}-4-(1,4-dimethyl-1H-pyrazol-5-yl)-5-methyl-2-thiophenecarboxamide
- IUPAC
- N-[(2S)-1-(2,5-difluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]-4-(1,4-dimethylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
이름 및 동의어
SCHEMBL1529873PMFPMSFZLMLGCF-IBGZPJMESA-NN-{(1S)-2-(2,5-difluorophenyl)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]ethyl}-4-(1,4-dimethyl-1H-pyrazol-5-yl)-5-methyl-2-thiophenecarboxamide
데이터베이스 식별자
- PubChem CID
- 57826722
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 887
관련 반응
3건
화합물 노트
불러오는 중…