기본 정보
- CAS
5563-53-1- 표준 SMILES
C=C(C)CN1CCN(CC(O)COc2ccc(OCC(O)CN3CCN(CC(=C)C)CC3)cc2)CC1- InChIKey
IBLYJNZFTQOXCS-UHFFFAOYSA-N- 분자식
- C28H46N4O4
- 평균 분자량
- 502.7 g/mol
- 단동위원소 질량
- 502.35190596
이름 및 식별자
- 우선 이름
- 1-[4-[2-Hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
- IUPAC
- 1-[4-[2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol
이름 및 동의어
300732-38-13,3'-(1,4-phenylenebis(oxy))bis(1-(4-(2-methylallyl)piperazin-1-yl)propan-2-ol)1-[4-[2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2-methylprop-2-enyl)piperazin-1-yl]propan-2-ol5563-53-11-(4-{2-HYDROXY-3-[4-(2-METHYLPROP-2-EN-1-YL)PIPERAZIN-1-YL]PROPOXY}PHENOXY)-3-[4-(2-METHYLPROP-2-EN-1-YL)PIPERAZIN-1-YL]PROPAN-2-OLF1011-0662DTXSID40386097SMSSF-0062499STK700384AKOS000631134AKOS016333332ST51064282
이름 더 보기
SR-01000481050SR-01000481050-11,1'-[1,4-Phenylenebis(oxy)]bis{3-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]propan-2-ol}3,3'-[1,4-phenylenebis(oxy)]bis{1-[4-(2-methyl-2-propen-1-yl)-1-piperazinyl]-2-propanol}3,3'-[benzene-1,4-diylbis(oxy)]bis{1-[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]propan-2-ol}3-(4-{2-hydroxy-3-[4-(2-methylprop-2-enyl)piperazinyl]propoxy}phenoxy)-1-[4-(2 -methylprop-2-enyl)piperazinyl]propan-2-ol3-(p-{2-hydroxy-3-[4-(2-methyl-2-propenyl)-1-piperazinyl]propoxy}phenoxy)-1-[4-(2-methyl-2-propenyl)-1-piperazinyl]-2-propanol
데이터베이스 식별자
- CAS
5563-53-1
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 71.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 598
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