(+)-(trans)-2-{4-[({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]phenyl}cyclopropanecarboxylic acid

HCID 11487291

기본 정보

표준 SMILES
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNc1ccc([C@@H]2C[C@H]2C(=O)O)cc1
InChIKey
LTSCYVQPSBMCFH-ZWKOTPCHSA-N
분자식
C22H19F3N2O2S
평균 분자량
432.5 g/mol

이름 및 식별자

우선 이름
(+)-(trans)-2-{4-[({4-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]phenyl}cyclopropanecarboxylic acid
IUPAC
trans-(1R,2R)-2-[4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylamino]phenyl]cyclopropane-1-carboxylic acid

이름 및 동의어

(+)-(trans)-2-{4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]phenyl}cyclopropanecarboxylic acidSCHEMBL3740273racemic-(trans)-2-{4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}methyl)amino]phenyl}cyclopropanecarboxylic acid

데이터베이스 식별자

PubChem CID
11487291

물성

구조 계산 물성

XLogP
5.1
극성 표면적
90.5 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
30

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