기본 정보
- CAS
304868-26-6- 표준 SMILES
COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C- InChIKey
NDLQGLGAHXPAMU-UHFFFAOYSA-N- 분자식
- C25H27N5O5
- 평균 분자량
- 477.5 g/mol
- 단동위원소 질량
- 477.20121898
이름 및 식별자
- 우선 이름
- 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- IUPAC
- 2-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
- 영어명
- 2-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
- 분자식
- C25H27N5O5
- 분자량
- 477.51
이름 및 동의어
MLS0005875292-amino-4-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrileSMR0002115542-Amino-4-[3-(3,5-dimethyl-4-nitro-pyrazol-1-ylmethyl)-4-methoxy-phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile2-amino-4-(3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile2-amino-4-{3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrileChemDiv1_002415Oprea1_665473MLS003901769CHEMBL1598099BDBM52452cid_3749981
이름 더 보기
4H-1-Benzopyran-3-carbonitrile, 2-amino-4-[3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-
HMS593N17HMS2623F23STK833205AKOS0036799452-amino-4-[3-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-4-methoxyphenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile304868-26-6ST006797AK-968/11842040
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 1,010
화학 및 산업
공급사3 곳
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