기본 정보
- CAS
870615-40-0- 표준 SMILES
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc21- InChIKey
UBNMGTSDHSQBEL-UHFFFAOYSA-N- 분자식
- C37H34N6O2
- 평균 분자량
- 594.7 g/mol
- 단동위원소 질량
- 594.27432435
개요
CE-326,597 has been used in trials studying the treatment of Obesity.
이름 및 식별자
- 우선 이름
- Ce-326597
- IUPAC
- N-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamide
- 영어명
- 6H-[1,2,4]Triazolo[4,3-a][1,5]benzodiazepine-6-acetaMide, 4,5-dihydro-4-(1H-indol-3-ylMethyl)-N-(1-Methylethyl)-5-oxo-1-phenyl-N-(phenylMethyl)-, (-)-
- 분자식
- C37H34N6O2
- 분자량
- 594.70486
이름 및 동의어
CE-3265971FGZ6L9SF2CE-326,597870615-40-06H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (-)-6H-(1,2,4)Triazolo(4,3-a)(1,5)benzodiazepine-6-acetamide, 4,5-dihydro-4-(1H-indol-3-ylmethyl)-N-(1-methylethyl)-5-oxo-1-phenyl-N-(phenylmethyl)-, (S)-N-benzyl-2-((4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-(1,2,4)triazolo(3,4-d)(1,5)benzodiazepin-6-yl)-N-propan-2-ylacetamideN-benzyl-2-[(4S)-4-(1H-indol-3-ylmethyl)-5-oxo-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-6-yl]-N-propan-2-ylacetamideRefChem:124157N-benzyl-2-((7S)-7-((1H-indol-3-yl)methyl)-8-oxo-3-phenyl-2,4,5,9-tetraazatricyclo(8.4.0.0^(2,6))tetradeca-1(14),3,5,10,12-pentaen-9-yl)-N-(propan-2-yl)acetamideUNII-1FGZ6L9SF2CE 326597
이름 더 보기
E-326597CE-326597 (CE 326597)
CHEMBL1269258(S)-2-(4-((1H-indol-3-yl)methyl)-5-oxo-1-phenyl-4,5-dihydro-6H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6-yl)-N-benzyl-N-isopropylacetamideGTPL9055orb1740998SCHEMBL29454541BDBM50329179DB12694compound 4a [PMID: 20851601]
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 87.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 893.8 · 893.8±75.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 16.96 · 16.96±0.30(Predicted)
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