N-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzamide dihydrochloride (HCID 68608805)

기본 정보

표준 SMILES: CCc1cccc(CNC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cc(C)cc(CN(C)Cc3ccco3)c2)c1.Cl.Cl
InChIKey: IOFZABMDOLXFBA-HCPPBGRPSA-N
분자식: C34H41Cl2F2N3O3
평균 분자량: 648.6 g/mol

이름 및 식별자

우선 이름: N-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzamide dihydrochloride
IUPAC: N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-3-[[furan-2-ylmethyl(methyl)amino]methyl]-5-methylbenzamide;dihydrochloride

이름 및 동의어

SCHEMBL3351345IOFZABMDOLXFBA-HCPPBGRPSA-NN-{(1S,2R)-1(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzamide DihydrochlorideN-{(1S,2R)-1-(3,5-Difluorobenzyl)-3-[(3-ethylbenzyl)amino]-2-hydroxypropyl}-3-{[(2-furylmethyl)(methyl)amino]methyl}-5-methylbenzamide dihydrochloride

데이터베이스 식별자

PubChem CID: 68608805

물성

구조 계산 물성

극성 표면적: 77.7 Å²
수소 결합 공여자 수: 5
수소 결합 수용자 수: 7
회전 가능 결합 수: 14
무거운 원자 수: 44
형식 전하: 0
복잡도: 796

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