기본 정보
- CAS
868125-34-2- 표준 SMILES
CCOc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3c2OCC(=O)N3)cc1- InChIKey
JALKRHQYYXOVJR-UHFFFAOYSA-N- 분자식
- C22H28N2O5
- 평균 분자량
- 400.5 g/mol
- 단동위원소 질량
- 400.199822
이름 및 식별자
- 우선 이름
- rac-8-(2-(1-(4-ethoxyphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-one
- IUPAC
- 8-[2-[[1-(4-ethoxyphenyl)-2-methylpropan-2-yl]amino]-1-hydroxyethyl]-6-hydroxy-4H-1,4-benzoxazin-3-one
이름 및 동의어
CHEMBL600007868125-34-2SCHEMBL153077SCHEMBL29737207JALKRHQYYXOVJR-UHFFFAOYSA-NDTXSID001111567BDBM50306799rac-8-(2-(1-(4-ethoxyphenyl)-2-methylpropan-2-ylamino)-1-hydroxyethyl)-6-hydroxy-2H-benzo[b][1,4]oxazin-3(4H)-oneDB-1141238-(2-{[1-(4-Ethoxyphenyl)-2-methylpropan-2-yl]amino}-1-hydroxyethyl)-6-hydroxy-2H-1,4-benzoxazin-3(4H)-one8-[2-[[2-(4-Ethoxyphenyl)-1,1-dimethylethyl]amino]-1-hydroxyethyl]-6-hydroxy-2H-1,4-benzoxazin-3(4H)-one8-{2-[2-(4-ethoxyphenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4H-benzo [1,4]oxazin-3-one
이름 더 보기
8-{2-[2-(4-ethoxyphenyl)-1,1-dimethylethylamino]-1-hydroxyethyl}-6-hydroxy-4h-benzo[1,4]oxazin-3-one
데이터베이스 식별자
- CAS
868125-34-2- PubChem CID
- 11625493
- DTXSID
DTXSID001111567
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 535
관련 반응
4건
화합물 노트
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