(R)-methyl 2-(N-(3-bromopropyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propanoate

HCID 67237163
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기본 정보

표준 SMILES
COC(=O)[C@@H](C)N(CCCBr)S(=O)(=O)c1cc(F)c(CSc2ncc(C(C)(C)c3ccc(Cl)c(OC)c3)n2-c2ccc(F)cc2)c(F)c1
InChIKey
UZZRXKLBZPAHIJ-HXUWFJFHSA-N
분자식
C33H34BrClF3N3O5S2
평균 분자량
789.1 g/mol

이름 및 식별자

우선 이름
(R)-methyl 2-(N-(3-bromopropyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propanoate
IUPAC
methyl (2R)-2-[3-bromopropyl-[4-[[5-[2-(4-chloro-3-methoxyphenyl)propan-2-yl]-1-(4-fluorophenyl)imidazol-2-yl]sulfanylmethyl]-3,5-difluorophenyl]sulfonylamino]propanoate

이름 및 동의어

SCHEMBL1984126UZZRXKLBZPAHIJ-HXUWFJFHSA-N(R)-methyl 2-(N-(3-bromopropyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propanoate

데이터베이스 식별자

PubChem CID
67237163

물성

구조 계산 물성

XLogP
8.3
극성 표면적
124 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
11
회전 가능 결합 수
15
무거운 원자 수
48

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(R)-methyl 2-(N-(3-bromopropyl)-4-((5-(2-(4-chloro-3-methoxyphenyl)propan-2-yl)-1-(4-fluorophenyl)-1H-imidazol-2-ylthio)methyl)-3,5-difluorophenylsulfonamido)propanoate (HCID 67237163)｜Huagongshe