methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate

HCID 70664089

기본 정보

표준 SMILES
COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1)C(=O)OC(C)(C)C
InChIKey
NPTMVNDOFZUOLL-UHFFFAOYSA-N
분자식
C35H34N6O7
평균 분자량
650.7 g/mol

이름 및 식별자

우선 이름
methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoate
IUPAC
methyl 2-[[4-[2-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenyl]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-nitrobenzoate

이름 및 동의어

1307853-69-5methyl 2-((tert-butoxycarbonyl)((2'-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)amino)-3-nitrobenzoatemethyl 2-{[(tert-butoxy)carbonyl][(2'-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3,4-tetrazol-5-yl}-[1,1'-biphenyl]-4-yl)methyl]amino}-3-nitrobenzoateSCHEMBL12098821NPTMVNDOFZUOLL-UHFFFAOYSA-Nmethyl 2-(N-tert-butoxycarbonyl-N-{(2'-[1-(p-methoxybenzyl)-1H-tetrazol-5-yl]biphenyl-4-yl)methyl}amino)-3-nitrobenzoate

데이터베이스 식별자

PubChem CID
70664089

물성

구조 계산 물성

XLogP
6.3
극성 표면적
154 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
10
회전 가능 결합 수
12
무거운 원자 수
48

관련 반응

4건

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