기본 정보
- CAS
57292-31-6- 표준 SMILES
CCN(CCNc1ccc(CO)c2sc3ccccc3c(=O)c12)CC(C)(C)O- InChIKey
QHXAKFDWYXSMJM-UHFFFAOYSA-N- 분자식
- C22H28N2O3S
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.18206393
이름 및 식별자
- 우선 이름
- 9H-Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxy-2-methylpropyl)amino)ethyl)amino)-4-(hydroxymethyl)-
- IUPAC
- 1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
이름 및 동의어
57292-31-6SW 31-({2-[ethyl(2-hydroxy-2-methylpropyl)amino]ethyl}amino)-4-(hydroxymethyl)-9h-thioxanthen-9-oneSW-39H-Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxy-2-methylpropyl)amino)ethyl)amino)-4-(hydroxymethyl)-AN47901UCONSC166379NSC-1663791-((2-(Ethyl(2-hydroxy-2-methylpropyl)amino)ethyl)amino)-4-(hydroxymethyl)-9H-thioxanthen-9-one9H-Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxy-2-methylpropyl)amino]ethyl]amino]-4-(hydroxymethyl)-NSC 166379UNII-AN47901UCO
이름 더 보기
SCHEMBL29352793DTXSID502059021-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-oneQ272740171-[2-[ethyl-(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-(hydroxymethyl)thioxanthen-9-one
데이터베이스 식별자
- CAS
57292-31-6- PubChem CID
- 72714
- DTXSID
DTXSID50205902- UNII
- AN47901UCO
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 98.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 530
관련 반응
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