ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

HCID 19932986

기본 정보

표준 SMILES
CCOC(=O)C1NCCc2nc(CC)n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c21
InChIKey
PKUCZPWBGROVIH-UHFFFAOYSA-N
분자식
C44H41N7O2
평균 분자량
699.8 g/mol

이름 및 식별자

우선 이름
ethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate
IUPAC
ethyl 2-ethyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylate

이름 및 동의어

SCHEMBL9043789PKUCZPWBGROVIH-UHFFFAOYSA-Nethyl 2-ethyl-3-[2'-(1 -trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl- 1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateethyl 2-ethyl-3-[2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl]methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine-4-carboxylateEthyl 2-ethyl-3-{2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl}methyl-4,5,6,7-tetrahydroimidazo[4,5-c]-pyridine-4-carboxylate

데이터베이스 식별자

PubChem CID
19932986

물성

구조 계산 물성

XLogP
8.1
극성 표면적
99.8 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
12
무거운 원자 수
53

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