기본 정보
- 표준 SMILES
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)ccc1O)C(C)C- InChIKey
TZASHOBYSUICIA-WGYIJZORSA-N- 분자식
- C44H55N3O5
- 평균 분자량
- 705.9 g/mol
이름 및 식별자
- 우선 이름
- 5-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)butoxy)phenethylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one
- IUPAC
- 5-[(1R)-2-[2-[4-[4-[3-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-hydroxyphenyl]butoxy]phenyl]ethylamino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
이름 및 동의어
CHEMBL1773267SCHEMBL4146759TZASHOBYSUICIA-WGYIJZORSA-NBDBM503431615-((R)-2-(4-(4-(3-((R)-3-(diisopropylamino)-1-phenylpropyl)-4-hydroxyphenyl)butoxy)phenethylamino)-1-hydroxyethyl)-8-hydroxyquinolin-2(1H)-one5-[(1R)-2-({2-[4-(4-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}butoxy) phenyl]ethyl}amino)-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one5-[(1R)-2-({2-[4-(4-{3-[(1R)-3-(diisopropylamino)-1-phenylpropyl]-4-hydroxyphenyl}butoxy)phenyl]ethyl}amino)-1-hydroxyethyl]-8-hydroxyquinolin-2(1H)-one
데이터베이스 식별자
- PubChem CID
- 53239456
- ChEMBL
CHEMBL1773267
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 19
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,050
관련 반응
1건
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