(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester

HCID 59766908

기본 정보

표준 SMILES
CN(C(=O)OC(C)(C)C)C1CCC(N(Cc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2F)C(=O)c2sc3ccccc3c2Cl)CC1
InChIKey
QFWBLRDGHNELME-UHFFFAOYSA-N
분자식
C36H35ClF4N2O4S
평균 분자량
703.2 g/mol

이름 및 식별자

우선 이름
(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[4-[(3-chloro-1-benzothiophene-2-carbonyl)-[[2-fluoro-5-[4-(2,2,2-trifluoroacetyl)phenyl]phenyl]methyl]amino]cyclohexyl]-N-methylcarbamate

이름 및 동의어

(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl esterSCHEMBL4731353SCHEMBL12678847QFWBLRDGHNELME-DIVCQZSQSA-N

데이터베이스 식별자

PubChem CID
59766908

물성

구조 계산 물성

XLogP
9.6
극성 표면적
95.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
9
무거운 원자 수
48

관련 반응

4건

화합물 노트

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(4-{(3-Chloro-benzo[b]thiophene-2-carbonyl)-[4-fluoro-4'-(2,2,2-trifluoro-acetyl)-biphenyl-3-ylmethyl]-amino}-cyclohexyl)-methyl-carbamic acid tert-butyl ester (HCID 59766908)|Huagongshe