(4-Isopropyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone
기본 정보
- 표준 SMILES
CC(C)N1CCN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1- InChIKey
UEFVOCVOZZVVNE-UHFFFAOYSA-N- 분자식
- C20H31BN2O3
- 평균 분자량
- 358.3 g/mol
이름 및 식별자
- 우선 이름
- (4-Isopropyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone
- IUPAC
- (4-propan-2-ylpiperazin-1-yl)-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
이름 및 동의어
1171044-18-0(4-Isopropyl-piperazin-1-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanoneC20H31BN2O3Methanone, [4-(1-methylethyl)-1-piperazinyl][4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(4-Isopropyl-piperazin-1-ylcarbonyl)phenylboronic acid pinacol ester(4-isopropylpiperazin-1-yl)(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanone1-(propan-2-yl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoyl]piperazinestarbld0017217SCHEMBL3713138UEFVOCVOZZVVNE-UHFFFAOYSA-NSB30982(4-Isopropylpiperazin-1-yl)-(4-(4,4,5,5-tetramethyl-[1,3,2]-dioxaborolan-2-yl)phenyl)-methanone
이름 더 보기
DB-336086
데이터베이스 식별자
- PubChem CID
- 68756040
물성
구조 계산 물성
- 극성 표면적
- 42 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 491
관련 반응
6건
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