1-methyl-2-[(4-amidinophenyl)thiomethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
기본 정보
- 표준 SMILES
CCCN(CCC(=O)OCC)C(=O)c1ccc2c(c1)nc(CSc1ccc(C(=N)N)cc1)n2C.Cl- InChIKey
PZBFYAUTFVPWMN-UHFFFAOYSA-N- 분자식
- C25H32ClN5O3S
- 평균 분자량
- 518.1 g/mol
이름 및 식별자
- 우선 이름
- 1-methyl-2-[(4-amidinophenyl)thiomethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
- IUPAC
- ethyl 3-[[2-[(4-carbamimidoylphenyl)sulfanylmethyl]-1-methylbenzimidazole-5-carbonyl]-propylamino]propanoate;hydrochloride
이름 및 동의어
SCHEMBL6783634PZBFYAUTFVPWMN-UHFFFAOYSA-N1-methyl-2-[(4-amidinophenyl)-thiomethyl]-benzimidazol-5-yl-carboxylic acid-n-(n-propyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride1-methyl-2-[(4-amidinophenyl)thiomethyl]-benzimidazol-5-yl-carboxylic acid-n-(n-propyl)-n-(2-ethoxycarbonylethyl)-amide-hydrochloride1-methyl-2-[(4-amidinophenyl)thiomethyl]benzimidazol-5-yl-carboxylic acid-N-(n-propyl)-N-(2-ethoxycarbonylethyl)amide hydrochloride
데이터베이스 식별자
- PubChem CID
- 18412411
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
- 35
- 형식 전하
- 0
- 복잡도
- 700
관련 반응
4건
화합물 노트
불러오는 중…