6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4(3H)-one
기본 정보
- CAS
1334953-74-0- 표준 SMILES
CS(=O)(=O)CCNCc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1- InChIKey
MLSBXWZCDMRNIX-UHFFFAOYSA-N- 분자식
- C16H17N3O4S
- 평균 분자량
- 347.4 g/mol
이름 및 식별자
- 우선 이름
- 6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4(3H)-one
- IUPAC
- 6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-3H-quinazolin-4-one
- 영어명
- 6-(5-((2-(Methylsulfonyl)ethylaMino)Methyl)furan-2-yl)quinazolin-4(3h)-one
- 분자식
- C16H17N3O4S
- 분자량
- 347.39
이름 및 동의어
6-(5-((2-(methylsulfonyl)ethylamino)methyl)furan-2-yl)quinazolin-4(3H)-one1334953-74-06-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)-3,4-dihydroquinazolin-4-one9QQ69B8YWHSCHEMBL9957389SCHEMBL12332290MLSBXWZCDMRNIX-UHFFFAOYSA-NDB-3332296-[5-({[2-(methyl-sulfonyl)ethyl]amino}methyl)furan-2-yl]quinazoline-4-ol6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl] quinazoline-4-ol6-[5-({[2-(methylsulfonyl)ethyl]amino}methyl)furan-2-yl]quinazoline-4-ol6-[5-[[[2-(Methylsulfonyl)ethyl]amino]methyl]furan-2-yl]quinazolin-4-ol
이름 더 보기
6-(5-((2-(Methylsulfonyl)ethylamino)methyl)furan-2-yl)quinaz...6-[5-({[2-(methylsulphonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-ol
4(3H)-Quinazolinone, 6-[5-[[[2-(methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-6-[5-[[[2-(Methylsulfonyl)ethyl]amino]methyl]-2-furanyl]-4(3H)-quinazolinone
데이터베이스 식별자
- CAS
1334953-74-0- PubChem CID
- 136162618
- UNII
- 9QQ69B8YWH
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 109 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 587
물리화학적 성질
- 끓는 점
- 630.3 · 630.3±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.41 · 6.41±0.19(Predicted)
관련 반응
2건
화합물 노트
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