1-Methyl-2-[(4-amidinophenyl)thiomethyl]-benzimidazol-5-yl-carboxylic acid-n-(2-methylpropyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride
기본 정보
- 표준 SMILES
CCOC(=O)CCN(CC(C)C)C(=O)c1ccc2c(c1)nc(CSc1ccc(C(=N)N)cc1)n2C.Cl- InChIKey
JLTJNYCJZKLPMG-UHFFFAOYSA-N- 분자식
- C26H34ClN5O3S
- 평균 분자량
- 532.1 g/mol
이름 및 식별자
- 우선 이름
- 1-Methyl-2-[(4-amidinophenyl)thiomethyl]-benzimidazol-5-yl-carboxylic acid-n-(2-methylpropyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride
- IUPAC
- ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]-(2-methylpropyl)amino]propanoate;hydrochloride
이름 및 동의어
SCHEMBL6779828JLTJNYCJZKLPMG-UHFFFAOYSA-N1-methyl-2-[(4-amidinophenyl)thiomethyl]-benzimidazol-5-yl-carboxylic acid-n-(2-methylpropyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride1-Methyl-2-[(4-amidinophenyl)thiomethyl]benzimidazol-5-yl-carboxylic acid-N-(2-methylpropyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride1-Methyl-2-[(4-amidinophenyl)thiomethyljbenzimidazol-5-yl-carboxylic acid-N-(2-methylpropyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
데이터베이스 식별자
- PubChem CID
- 18412463
물성
구조 계산 물성
- 극성 표면적
- 140 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 728
관련 반응
2건
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