CAS 374633-43-9 (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone (HCID 12020635)

기본 정보

CAS: 374633-43-9
표준 SMILES: O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCc2c([nH]c3ccccc23)C1c1ccc2c(c1)OCO2
InChIKey: XBWMHHZJSVNSTL-UHFFFAOYSA-N
분자식: C30H21F3N2O4
평균 분자량: 530.5 g/mol
단동위원소 질량: 530.14534164

이름 및 식별자

우선 이름: (1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanone
IUPAC: [1-(1,3-benzodioxol-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone

이름 및 동의어

CHEMBL164755(1-Benzo[1,3]dioxol-5-yl-1,3,4,9-tetrahydro-beta-carbolin-2-yl)-[5-(3-trifluoromethyl-phenyl)-furan-2-yl]-methanoneSCHEMBL6291222DTXSID101104575BDBM50125144374633-43-9[1-(1,3-Benzodioxol-5-yl)-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl][5-[3-(trifluoromethyl)phenyl]-2-furanyl]methanone1-(3,4-Methylenedioxyphenyl)-2-[5-(3-trifluoromethylphenyl)furoyl]-2,3,4,9-tetrahydro-1H-beta-carboline

데이터베이스 식별자

CAS: 374633-43-9
PubChem CID: 12020635
DTXSID: DTXSID101104575
ChEMBL: CHEMBL164755
Nikkaji: J1.861.636J

물성

구조 계산 물성

XLogP: 6.5
극성 표면적: 67.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 3
무거운 원자 수: 39
형식 전하: 0
복잡도: 904

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