4-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)-piperazine-1-carboxylic acid 2,2-dimethyl-propyl ester

HCID 59305381
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기본 정보

표준 SMILES
CC(C)(C)COC(=O)N1CCN(c2ccc(-c3ccc(Cc4nc(-c5ccc(Cl)cc5Cl)cn4-c4ccc(N5CC(=O)NS5(=O)=O)cc4)cc3)cc2)CC1
InChIKey
XZPHXNINBJWQMP-UHFFFAOYSA-N
분자식
C40H40Cl2N6O5S
평균 분자량
787.8 g/mol

이름 및 식별자

우선 이름
4-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)-piperazine-1-carboxylic acid 2,2-dimethyl-propyl ester
IUPAC
2,2-dimethylpropyl 4-[4-[4-[[4-(2,4-dichlorophenyl)-1-[4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]imidazol-2-yl]methyl]phenyl]phenyl]piperazine-1-carboxylate

이름 및 동의어

SCHEMBL3293855XZPHXNINBJWQMP-UHFFFAOYSA-N4-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)-piperazine-1-carboxylic acid 2,2-dimethyl-propyl ester4-(4'-{4-(2,4-dichloro-phenyl)-1-[4-(1,1,4-trioxo-[1,2,5]thiadiazolidin-2-yl)-phenyl]-1H-imidazol-2-ylmethyl}-biphenyl-4-yl)piperazine-1-carboxylic acid 2,2-dimethyl-propyl ester

데이터베이스 식별자

PubChem CID
59305381

물성

구조 계산 물성

XLogP
8.2
극성 표면적
125 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
8
회전 가능 결합 수
10
무거운 원자 수
54

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