5-{4-[2-{4-[6-(2-Cyclohexyl-ethoxy)-pyridazin-3-yl]benzyl}-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,1-dioxo-2-(2-trimethylsilanyl-ethoxymethyl)-[1,2,5]thiadiazolidin-3-one

HCID 68582970

기본 정보

표준 SMILES
C[Si](C)(C)CCOCN1C(=O)CN(c2ccc(-n3cc(-c4ccc(Cl)cc4Cl)nc3Cc3ccc(-c4ccc(OCCC5CCCCC5)nn4)cc3)cc2)S1(=O)=O
InChIKey
NNPLPVCDVXMMJA-UHFFFAOYSA-N
분자식
C42H48Cl2N6O5SSi
평균 분자량
847.9 g/mol
단동위원소 질량
846.2553217

이름 및 식별자

우선 이름
5-{4-[2-{4-[6-(2-Cyclohexyl-ethoxy)-pyridazin-3-yl]benzyl}-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,1-dioxo-2-(2-trimethylsilanyl-ethoxymethyl)-[1,2,5]thiadiazolidin-3-one
IUPAC
5-[4-[2-[[4-[6-(2-cyclohexylethoxy)pyridazin-3-yl]phenyl]methyl]-4-(2,4-dichlorophenyl)imidazol-1-yl]phenyl]-1,1-dioxo-2-(2-trimethylsilylethoxymethyl)-1,2,5-thiadiazolidin-3-one

이름 및 동의어

SCHEMBL3289606NNPLPVCDVXMMJA-UHFFFAOYSA-N5-{-4-[2-{-4-[6-(2-cyclohexyl-ethoxy)-pyridazin-3-yl]-benzyl}-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,1-dioxo-2-(2-trimethylsilanyl-ethoxymethyl)-[1,2,5]thiadiazolidin-3-one5-{4-[2-{4-[6-(2-cyclohexyl-ethoxy)-pyridazin-3-yl]-benzyl}-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,1-dioxo-2-(2-trimethylsilanyl-ethoxymethyl)-[1,2,5]thiadiazolidin-3-one5-{4-[2-{4-[6-(2-cyclohexyl-ethoxy)-pyridazin-3-yl]benzyl}-4-(2,4-dichloro-phenyl)-imidazol-1-yl]-phenyl}-1,1-dioxo-2-(2-trimethylsilanyl-ethoxymethyl)-[1,2,5]thiadiazolidin-3-one

데이터베이스 식별자

PubChem CID
68582970

물성

구조 계산 물성

극성 표면적
128 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
15
무거운 원자 수
57

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