Methyl 3-[4-({4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]-benzyl)oxy)phenyl]propanoate (HCID 23143289)

기본 정보

표준 SMILES: COC(=O)CCc1ccc(OCc2ccc(CN(CCC(C)C)c3nc(-c4ccc(C(F)(F)F)cc4)cs3)cc2)cc1
InChIKey: KQXJRBCFGRQECD-UHFFFAOYSA-N
분자식: C33H35F3N2O3S
평균 분자량: 596.7 g/mol
단동위원소 질량: 596.23204864

이름 및 식별자

우선 이름: Methyl 3-[4-({4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]-benzyl)oxy)phenyl]propanoate
IUPAC: methyl 3-[4-[[4-[[3-methylbutyl-[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino]methyl]phenyl]methoxy]phenyl]propanoate

이름 및 동의어

methyl 3-[4-({4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]-benzyl)oxy)phenyl]propanoatemethyl 3-[4-({4-[((3-methylbutyl){4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl}amino)methyl]-benzyl}oxy)phenyl]propanoateSCHEMBL3920620

데이터베이스 식별자

PubChem CID: 23143289

물성

구조 계산 물성

XLogP: 8.7
극성 표면적: 79.9 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 14
무거운 원자 수: 42
형식 전하: 0
복잡도: 792

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