{2-Methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-ylmethyl}-carbamic acid tert-butyl ester

HCID 86706654

기본 정보

표준 SMILES
Cc1oc(C2=NOC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)cc1CNC(=O)OC(C)(C)C
InChIKey
ASEUTWOLQSGQJB-UHFFFAOYSA-N
분자식
C21H20Cl3F3N2O4
평균 분자량
527.7 g/mol

이름 및 식별자

우선 이름
{2-Methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-ylmethyl}-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[2-methyl-5-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]furan-3-yl]methyl]carbamate

이름 및 동의어

{2-methyl-5-[5-(3,4,5-trichloro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-furan-3-ylmethyl}-carbamic acid tert-butyl esterSCHEMBL12495379

데이터베이스 식별자

PubChem CID
86706654

물성

구조 계산 물성

XLogP
6.4
극성 표면적
73.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
6
무거운 원자 수
33

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