rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide

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기본 정보

CAS: 150428-54-9
표준 SMILES: C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C
InChIKey: LBLDMHBSVIVJPM-YZIHRLCOSA-N
분자식: C27H37N3O2
평균 분자량: 435.6 g/mol
단동위원소 질량: 435.28857742

개요

4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide is a diarylmethane.

이름 및 식별자

우선 이름: rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide
IUPAC: 4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
영어명: BW 373U86
분자식: C27H37N3O2
분자량: 435.6

이름 및 동의어

BW 373U86150428-54-9BW-373U86RR2QFN29K7Benzamide, 4-((2,5-dimethyl-4-(2-propenyl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethyl-, (1(S*),2alpha,5beta)-(+-)-rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamiderel-4-[(R)-[(2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethylbenzamideRefChem:930636BW-373U86, (A+-)-155836-50-3BW373U864-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide

이름 더 보기

Benzamide, 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-hydroxyphenyl)methyl]-N,N-diethyl-, rel-

SNC-864-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide(+)-BW373U86CHEMBL25230155836-52-54-[(AR*)-ALPHA-((2S*,5R*)-4-ALLYL-2,5-DIMETHYL-1-PIPERAZINYL)-3-HYDROXYBENZYL]-N,N-DIETHYLBENZAMIDErel-4-((R)-((2S,5R)-4-allyl-2,5-dimethylpiperazin-1-yl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamideLBLDMHBSVIVJPM-YZIHRLCOSA-N

물성

구조 계산 물성보충 중

XLogP: 4.6
극성 표면적: 47 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 32
형식 전하: 0
복잡도: 600

물리화학적 성질

끓는 점: 579.533 · 579.533±50.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.071 · 1.071±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa): 9.799 · 9.799±0.10(predicted)

화합물 노트

불러오는 중…

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기본 정보

CAS: 150428-54-9
표준 SMILES: C=CCN1C[C@H](C)N([C@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@H]1C
InChIKey: LBLDMHBSVIVJPM-YZIHRLCOSA-N
분자식: C27H37N3O2
평균 분자량: 435.6 g/mol
단동위원소 질량: 435.28857742

개요

4-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enyl-1-piperazinyl]-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide is a diarylmethane.