6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-trifluoromethyl-nicotinic acid ethyl ester

HCID 72310124
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기본 정보

표준 SMILES
CCOC(=O)c1ccc(Oc2ccc(C(C)C(O)(c3ccc4c(c3)N(C)C(=O)CO4)C(F)(F)F)c(Cl)c2)nc1C(F)(F)F
InChIKey
CMYNYSQVEURNJO-UHFFFAOYSA-N
분자식
C28H23ClF6N2O6
평균 분자량
632.9 g/mol

이름 및 식별자

우선 이름
6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-trifluoromethyl-nicotinic acid ethyl ester
IUPAC
ethyl 6-[3-chloro-4-[4,4,4-trifluoro-3-hydroxy-3-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butan-2-yl]phenoxy]-2-(trifluoromethyl)pyridine-3-carboxylate

이름 및 동의어

6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-trifluoromethyl-nicotinic acid ethyl esterSCHEMBL474763

데이터베이스 식별자

PubChem CID
72310124

물성

구조 계산 물성

XLogP
6
극성 표면적
98.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
13
회전 가능 결합 수
8
무거운 원자 수
43

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3건
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6-{3-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(4-methyl-3-oxo-3,4-dihydro-2H-benzo[1,4]oxazin-6-yl)-propyl]-phenoxy}-2-trifluoromethyl-nicotinic acid ethyl ester (HCID 72310124)｜Huagongshe