3-Cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl phenyl]-propionic acid methyl ester

HCID 69690958

기본 정보

표준 SMILES
COC(=O)C(CC1CCCC1)c1ccc(-n2nnnc2C)c(C(F)(F)F)c1
InChIKey
ZFRVGEJGJPYLFL-UHFFFAOYSA-N
분자식
C18H21F3N4O2
평균 분자량
382.4 g/mol

이름 및 식별자

우선 이름
3-Cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl phenyl]-propionic acid methyl ester
IUPAC
methyl 3-cyclopentyl-2-[4-(5-methyltetrazol-1-yl)-3-(trifluoromethyl)phenyl]propanoate

이름 및 동의어

3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl phenyl]-propionic acid methyl esterSCHEMBL61726153-cyclopentyl-2-[4-(5-methyl-tetrazol- 1-yl)-3-trifluoromethyl-phenyl]-propionic acid methyl ester3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-propionic acid methyl esterracemic 3-cyclopentyl-2-[4-(5-methyl-tetrazol-1-yl)-3-trifluoromethyl-phenyl]-propionic acid methyl ester

데이터베이스 식별자

PubChem CID
69690958

물성

구조 계산 물성

XLogP
4.9
극성 표면적
69.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
27

관련 반응

14건

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