8-(7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one

HCID 68598305

기본 정보

표준 SMILES
O=C1C(c2cc3c(cc2O)OCCO3)c2cc3c(cc2N1Cc1ccc(C(F)(F)F)o1)OCCO3
InChIKey
PGZKRXGPGDXHCT-UHFFFAOYSA-N
분자식
C24H18F3NO7
평균 분자량
489.4 g/mol
단동위원소 질량
489.1035364

이름 및 식별자

우선 이름
8-(7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-one
IUPAC
8-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-6-[[5-(trifluoromethyl)furan-2-yl]methyl]-3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-one

이름 및 동의어

8-(7-hydroxy-2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-((5-(trifluoromethyl)furan-2-yl)methyl)-6,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7(3H)-oneSCHEMBL33291098-(7-hydroxy-2,3-dihydro-1,4-benzodioxin-6-yl)-6-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3,6,8-tetrahydro-7H-[1,4]dioxino[2,3-f]indol-7-one

데이터베이스 식별자

PubChem CID
68598305

물성

구조 계산 물성

XLogP
3.2
극성 표면적
90.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
3
무거운 원자 수
35

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