4-bromo-N-({4-bromo-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide (HCID 178509906)

기본 정보

표준 SMILES: N#Cc1cc(Cl)cc(Oc2c(Br)ccc(CNC(=O)c3[nH]cnc3Br)c2F)c1
InChIKey: KUIOXUZPKTVKPI-UHFFFAOYSA-N
분자식: C18H10Br2ClFN4O2
평균 분자량: 528.6 g/mol
단동위원소 질량: 525.88431

이름 및 식별자

우선 이름: 4-bromo-N-({4-bromo-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide
IUPAC: 5-bromo-N-[[4-bromo-3-(3-chloro-5-cyanophenoxy)-2-fluorophenyl]methyl]-1H-imidazole-4-carboxamide

이름 및 동의어

4-bromo-N-({4-bromo-3-[(3-chloro-5-cyanophenyl)oxy]-2-fluorophenyl}methyl)-1H-imidazole-5-carboxamide4-bromo-N-[(4-bromo-3-{[3-chloro-5-cyanophenyl]oxy}-2-fluorophenyl)methyl]-1H-imidazole-5-carboxamideSCHEMBL3025222KUIOXUZPKTVKPI-UHFFFAOYSA-N4-bromo-N-[[4-bromo-3-(3-chloro-5-cyano-phenoxy)-2-fluoro-phenyl]methyl]-1H-imidazole-5-carboxamide

데이터베이스 식별자

PubChem CID: 25123467

물성

구조 계산 물성

XLogP: 4.9
극성 표면적: 90.8 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 609

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