cis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(2H-tetrazol-5-yl)carbonyl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide cis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(4-methoxybenzyl)-2H-tetrazol-5-yl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide
기본 정보
- 표준 SMILES
CCc1[nH]c(C(=O)N[C@H]2CCN(C(=O)c3nn[nH]n3)C[C@H]2OC)nc1Cl.CCc1[nH]c(C(=O)N[C@H]2CCN(c3nnn(Cc4ccc(OC)cc4)n3)C[C@H]2OC)nc1Cl- InChIKey
NMILSWWIQNQURR-IQSWHHOGSA-N- 분자식
- C35H46Cl2N16O6
- 평균 분자량
- 857.7 g/mol
이름 및 식별자
- 우선 이름
- cis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(2H-tetrazol-5-yl)carbonyl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide cis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(4-methoxybenzyl)-2H-tetrazol-5-yl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide
- IUPAC
- 4-chloro-5-ethyl-N-[(3R,4S)-3-methoxy-1-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]piperidin-4-yl]-1H-imidazole-2-carboxamide;4-chloro-5-ethyl-N-[(3R,4S)-3-methoxy-1-(2H-tetrazole-5-carbonyl)piperidin-4-yl]-1H-imidazole-2-carboxamide
이름 및 동의어
NMILSWWIQNQURR-IQSWHHOGSA-Ncis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(2H-tetrazol-5-yl)carbonyl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide cis(+/-)-4-Chloro-5-ethyl-N-{3-methoxy-1-[(4-methoxybenzyl)-2H-tetrazol-5-yl]piperidin-4-yl}-1H-imidazole-2-carboxylic acid amide
데이터베이스 식별자
- PubChem CID
- 86762084
물성
구조 계산 물성
- 극성 표면적
- 265 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 59
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
1건
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