N-(6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[b]thiophene-2-carboxamide

HCID 58540259

기본 정보

CAS
1227210-38-9
표준 SMILES
Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(F)c1NC(=O)c1cc2ccccc2s1
InChIKey
ODVHJDAIZGJXLI-UHFFFAOYSA-N
분자식
C22H23BFNO3S
평균 분자량
411.3 g/mol
단동위원소 질량
411.14757322

이름 및 식별자

우선 이름
N-(6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[b]thiophene-2-carboxamide
IUPAC
N-[6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-benzothiophene-2-carboxamide

이름 및 동의어

1227210-38-9N-(6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzo[b]thiophene-2-carboxamideN-[6-Fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzo[b]thiophene-2-carboxamideSCHEMBL2493924ODVHJDAIZGJXLI-UHFFFAOYSA-NDTXSID801109988DB-188716N-[6-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-benzo[b]thiophene-2-carboxamide

데이터베이스 식별자

CAS
1227210-38-9
PubChem CID
58540259
DTXSID
DTXSID801109988

물성

구조 계산 물성

극성 표면적
75.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
29

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4건

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