1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-n-hexyloxycarbonylethyl)amide Hydrochloride (HCID 18412503)

기본 정보

표준 SMILES: CCCCCCOC(=O)CCN(C(=O)c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)c1ccccn1.Cl
InChIKey: KXRGOQGIVFDSER-UHFFFAOYSA-N
분자식: C31H38ClN7O3
평균 분자량: 592.1 g/mol

이름 및 식별자

우선 이름: 1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-n-hexyloxycarbonylethyl)amide Hydrochloride
IUPAC: hexyl 3-[[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate;hydrochloride

이름 및 동의어

SCHEMBL6779528KXRGOQGIVFDSER-UHFFFAOYSA-N1-methyl-2-[n-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-n-(2-pyridyl)-n-(2-n-hexyloxycarbonylethyl)-amide-hydrochloride1-Methyl-2-[N-(4-amidinophenyl)aminomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-n-hexyloxycarbonylethyl)amide Hydrochloride

데이터베이스 식별자

PubChem CID: 18412503

물성

구조 계산 물성

극성 표면적: 139 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 7
회전 가능 결합 수: 15
무거운 원자 수: 42
형식 전하: 0
복잡도: 850

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