기본 정보
- CAS
83722-14-9- 표준 SMILES
COc1ccc2nc(-c3ccc(OCC(O)CNC(C)(C)C)cc3)n(C)c(=O)c2c1- InChIKey
NJLURZOPCFJTSE-UHFFFAOYSA-N- 분자식
- C23H29N3O4
- 평균 분자량
- 411.5 g/mol
- 단동위원소 질량
- 411.21580641
개요
structure given in first source; RN given refers to (+-) - isomer
이름 및 식별자
- 우선 이름
- HX-CH 44BS
- IUPAC
- 2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one
- 영어명
- HX-CH 44BS
- 분자식
- C23H29N3O4
- 분자량
- 0
이름 및 동의어
HX-CH 44BS95893-19-9HX-CH 44 BSHX-CH-44-BSRefChem:92309683722-14-92-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-6-methoxy-3-methylquinazolin-4-one2-(4-(3-(tert-Butylamino)-2-hydroxypropoxy)phenyl)-3-methyl-6-methoxy-4(3H)-quinazolinone2-(4-(2-Hydroxy-3-tert-butylamino-propoxy)phenyl)-3-methyl-6-methoxy-3,4-dihydroquinazolin-4-o4(3H)-Quinazolinone, 2-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-6-methoxy-3-methyl-CHEMBL1824263CHEMBL2068824
이름 더 보기
2-(4-(3-(Tert-Butylamino)-2-Hydroxypropoxy)Phenyl)-3- Methyl -6-Methoxy-4(3H)-Quinazolinone
SCHEMBL10760414DTXSID00914759NJLURZOPCFJTSE-UHFFFAOYSA-NBDBM503521132-{4-[3-(tert-Butylamino)-2-hydroxypropoxy]phenyl}-6-methoxy-3-methylquinazolin-4(3H)-one2-[4-(2-Hydroxy-3-tert. butylamino-propoxy)-phenyl]-3-methyl-6-methoxy-3,4-dihydro-quinazolin-4-one4(3H)-Quinazolinone, 2-(4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)phenyl)-6-methoxy-3-methyl-, (+-)-
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 83.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 610
화학 및 산업
공급사1 곳
HBCChem, Inc.+1-510-219-6317 · [email protected]
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