3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide (HCID 11134810)

기본 정보

표준 SMILES: C=CCN1C[C@H](C)N([C@@H](c2cccc(O)c2)c2cccc(C(=O)N(c3ccccc3)C3CC3)c2)C[C@H]1C
InChIKey: QJIRJFCKPGNFTF-ULPIOCOXSA-N
분자식: C32H37N3O2
평균 분자량: 495.7 g/mol

이름 및 식별자

우선 이름: 3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide
IUPAC: N-cyclopropyl-3-[(R)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-hydroxyphenyl)methyl]-N-phenylbenzamide

이름 및 동의어

CHEMBL157095SCHEMBL8930535QJIRJFCKPGNFTF-ULPIOCOXSA-NBDBM501236603-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-cyclopropyl-N-phenylbenzamide3-[(R)-((2S,5R)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N-cyclopropyl-N-phenyl-benzamide

데이터베이스 식별자

PubChem CID: 11134810
ChEMBL: CHEMBL157095

물성

구조 계산 물성

XLogP: 6
극성 표면적: 47 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 763

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