CAS 839713-37-0 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-Chloro-phenyl)-urea (HCID 11453346)

기본 정보

CAS: 839713-37-0
표준 SMILES: COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1-c1c(Br)cnn1C
InChIKey: BQDQNHMUANFRRQ-UHFFFAOYSA-N
분자식: C18H16BrClN4O2
평균 분자량: 435.7 g/mol
단동위원소 질량: 434.01452

이름 및 식별자

우선 이름: 1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-Chloro-phenyl)-urea
IUPAC: 1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-chlorophenyl)urea

이름 및 동의어

CHEMBL602874SCHEMBL5052896SCHEMBL29572799BQDQNHMUANFRRQ-UHFFFAOYSA-NBDBM616185DTXSID8011343671-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3-Chloro-phenyl)-ureaUS20230277505, Compound 20839713-37-01-[3-(4-Bromo-2-methyl-2H- pyrazol-3-yl)-4-methoxy-phenyl]-3- (3-chloro-phenyl)-urea1-[3-(4-Bromo-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-3-(3Chloro-phenyl)-ureaN-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-N'-(3-chlorophenyl)urea

이름 더 보기

N-[3-(4-Bromo-1-methyl-1H-pyrazol-5-yl)-4-methoxyphenyl]-Na(2)-(3-chlorophenyl)urea

데이터베이스 식별자

CAS: 839713-37-0
PubChem CID: 11453346
DTXSID: DTXSID801134367
ChEMBL: CHEMBL602874

물성

구조 계산 물성

XLogP: 3.7
극성 표면적: 68.2 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 26
형식 전하: 0
복잡도: 486

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