기본 정보
- CAS
315239-14-6- 표준 SMILES
C=CCn1c(CCCN2C(=O)c3cccc4cccc(c34)C2=O)nnc1SCC(=O)NCc1cccnc1- InChIKey
IZQHPDWJANCAFT-UHFFFAOYSA-N- 분자식
- C28H26N6O3S
- 평균 분자량
- 526.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
- IUPAC
- 2-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamide
- 영어명
- 2-((4-allyl-5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-3-ylmethyl)acetamide
- 분자식
- C28H26N6O3S
- 분자량
- 526.61
이름 및 동의어
315239-14-62-((4-allyl-5-(3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl)-4H-1,2,4-triazol-3-yl)thio)-N-(pyridin-3-ylmethyl)acetamide2-{[5-(3-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}propyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]acetamideF0829-0002ChemDiv1_0052752-[[5-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(pyridin-3-ylmethyl)acetamideHMS601P17SMSSF-0091762STK548717AKOS001057873UPCMLD0ENAT0516-9395:001ST50032207
이름 더 보기
Acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-(2-propen-1-yl)-4H-1,2,4-triazol-3-yl]thio]-N-(3-pyridinylmethyl)-
AF-399/15104023SR-01000445726SR-01000445726-1Z569153682-({4-allyl-5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-pyridinylmethyl)acetamide2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(pyridin-3-ylmethyl)acetamideN-(3-pyridyl)methyl{4-allyl-5-[3-(1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)propyl]-4H-1,2,4-triazol-3-ylthio}acetamide
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 135 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 844
물리화학적 성질
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.17 · 13.17±0.46(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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