(E)-N,N-Dibutyl-4-chloro-1-(4-(1-ethyl-5-(prop-1-enyl)indolin-6-ylsulfonylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide

HCID 86718890
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기본 정보

표준 SMILES
C/C=C/c1cc2c(cc1S(=O)(=O)NC(=O)c1ccc(-n3nc(C(=O)N(CCCC)CCCC)c(Cl)c3C)c(C(=O)N3CCc4ccccc4C3)c1)N(CC)CC2
InChIKey
SKPYDAKEZRDPMO-RIYZIHGNSA-N
분자식
C43H51ClN6O5S
평균 분자량
799.4 g/mol

이름 및 식별자

우선 이름
(E)-N,N-Dibutyl-4-chloro-1-(4-(1-ethyl-5-(prop-1-enyl)indolin-6-ylsulfonylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide
IUPAC
N,N-dibutyl-4-chloro-1-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-4-[[1-ethyl-5-[(E)-prop-1-enyl]-2,3-dihydroindol-6-yl]sulfonylcarbamoyl]phenyl]-5-methylpyrazole-3-carboxamide

이름 및 동의어

SCHEMBL15675419SKPYDAKEZRDPMO-RIYZIHGNSA-N(E)-N,N-Dibutyl-4-chloro-1-(4-(1-ethyl-5-(prop-1-enyl)indolin-6-ylsulfonylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)phenyl)-5-methyl-1H-pyrazole-3-carboxamide

데이터베이스 식별자

PubChem CID
86718890

물성

구조 계산 물성

XLogP
8.1
극성 표면적
133 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
14
무거운 원자 수
56

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