1-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-[methyl(methylsulfonyl)amino]indole-6-carboxamide

HCID 21085191
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기본 정보

표준 SMILES
CCCCn1ccc2c(N(C)S(C)(=O)=O)cc(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNCc3cccc(CC)c3)cc21
InChIKey
ZYOVFMNVDXAWFJ-UHFFFAOYSA-N
분자식
C34H42F2N4O4S
평균 분자량
640.8 g/mol

이름 및 식별자

우선 이름
1-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-[methyl(methylsulfonyl)amino]indole-6-carboxamide
IUPAC
1-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-[methyl(methylsulfonyl)amino]indole-6-carboxamide

데이터베이스 식별자

PubChem CID
21085191

물성

구조 계산 물성

XLogP
5.1
극성 표면적
112 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
15
무거운 원자 수
45

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연결된 노트

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1-butyl-N-[1-(3,5-difluorophenyl)-4-[(3-ethylphenyl)methylamino]-3-hydroxybutan-2-yl]-4-[methyl(methylsulfonyl)amino]indole-6-carboxamide (HCID 21085191)｜Huagongshe