2-Tert-butoxy-2-[1-[(2,3-difluoro-6-methoxy-phenyl)methyl]-6-methyl-4-(p-tolyl)pyrrolo[2,3-b]pyridin-5-yl]acetic acid (HCID 71209147)

기본 정보

표준 SMILES: COc1ccc(F)c(F)c1Cn1ccc2c(-c3ccc(C)cc3)c(C(OC(C)(C)C)C(=O)O)c(C)nc21
InChIKey: UUBOEQCIZFOBEU-UHFFFAOYSA-N
분자식: C29H30F2N2O4
평균 분자량: 508.6 g/mol
단동위원소 질량: 508.21736377

이름 및 식별자

우선 이름: 2-Tert-butoxy-2-[1-[(2,3-difluoro-6-methoxy-phenyl)methyl]-6-methyl-4-(p-tolyl)pyrrolo[2,3-b]pyridin-5-yl]acetic acid
IUPAC: 2-[1-[(2,3-difluoro-6-methoxyphenyl)methyl]-6-methyl-4-(4-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

이름 및 동의어

SCHEMBL14576739UUBOEQCIZFOBEU-UHFFFAOYSA-N2-(tert-butoxy)-2-(1-(2,3-difluoro-6-methoxybenzyl)-6-methyl-4-(p-tolyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid2-tert-butoxy-2-[1-[(2,3-difluoro-6-methoxy-phenyl)methyl]-6-methyl-4-(p-tolyl)pyrrolo[2,3-b]pyridin-5-yl]acetic acid

데이터베이스 식별자

PubChem CID: 71209147

물성

구조 계산 물성

XLogP: 5.9
극성 표면적: 73.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 37
형식 전하: 0
복잡도: 771

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