2-Tert-butoxy-2-[6-methyl-4-(p-tolyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acid (HCID 71209264)

기본 정보

표준 SMILES: Cc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3c2ccn3Cc2ccc(C(F)(F)F)cc2)cc1
InChIKey: PBMKIDQVITWUJZ-UHFFFAOYSA-N
분자식: C29H29F3N2O3
평균 분자량: 510.5 g/mol
단동위원소 질량: 510.21302728

이름 및 식별자

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

이름 및 동의어

2-tert-butoxy-2-[6-methyl-4-(p-tolyl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-5-yl]acetic acidSCHEMBL145769362-(tert-butoxy)-2-(6-methyl-4-(p-tolyl)-1-(4-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)acetic acid

데이터베이스 식별자

PubChem CID: 71209264

물성

구조 계산 물성

XLogP: 6.6
극성 표면적: 64.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 7
회전 가능 결합 수: 7
무거운 원자 수: 37
형식 전하: 0
복잡도: 769

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