3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide

HCID 4341332

기본 정보

표준 SMILES
Cc1noc(C)c1Cn1cc(NC(=O)c2scc(S(C)(=O)=O)c2Cl)cn1
InChIKey
BOEDEYZBMLWUJW-UHFFFAOYSA-N
분자식
C15H15ClN4O4S2
평균 분자량
414.9 g/mol
단동위원소 질량
414.022325

이름 및 식별자

우선 이름
3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide
IUPAC
3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methylsulfonylthiophene-2-carboxamide

이름 및 동의어

SCHEMBL1278561CHEMBL3928980BOEDEYZBMLWUJW-UHFFFAOYSA-NBDBM210968AB00004013-01US9247759, 4-23-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4 (methylsulfonyl)thiophene-2-carboxamide3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4(methylsulfonyl)thiophene-2-carboxamide3-chloro-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-4-(methylsulfonyl)thiophene-2-carboxamide

데이터베이스 식별자

PubChem CID
4341332
ChEMBL
CHEMBL3928980

물성

구조 계산 물성

XLogP
1.8
극성 표면적
144 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
26

관련 반응

6건

화합물 노트

불러오는 중…