({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl ester

HCID 86693751

기본 정보

표준 SMILES
COC(=O)CNC(=O)c1sc(C2=NOC(c3cc(Cl)c(F)c(Cl)c3)(C(F)(F)F)C2)c2c1CCC2
InChIKey
OMXVYTDFEWGKSU-UHFFFAOYSA-N
분자식
C21H16Cl2F4N2O4S
평균 분자량
539.3 g/mol

이름 및 식별자

우선 이름
({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl ester
IUPAC
methyl 2-[[1-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-3-carbonyl]amino]acetate

이름 및 동의어

({3-[5-(3,5-Dichloro-4-fluoro-phenyl)-5-trifluoromethyl-4,5-dihydro-isoxazol-3-yl]-5,6-dihydro-4H-cyclopenta[c]thiophene-1-carbonyl}-amino)-acetic acid methyl esterSCHEMBL13858002

데이터베이스 식별자

PubChem CID
86693751

물성

구조 계산 물성

XLogP
6
극성 표면적
105 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
6
무거운 원자 수
34

관련 반응

6건

연결된 노트

불러오는 중…