2,4-dimethyl-5-[2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-[1,2,3]triazol-1-yl-propyl)-amide

HCID 10158242

기본 정보

표준 SMILES
Cc1[nH]c(/C=C2\C(=O)Nc3ccccc32)c(C)c1C(=O)NCC(O)Cn1ccnn1
InChIKey
XNWSIADBVOKMGP-SXGWCWSVSA-N
분자식
C21H22N6O3
평균 분자량
406.4 g/mol
단동위원소 질량
406.17533859

이름 및 식별자

우선 이름
2,4-dimethyl-5-[2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-[1,2,3]triazol-1-yl-propyl)-amide
IUPAC
N-[2-hydroxy-3-(triazol-1-yl)propyl]-2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-3-carboxamide

이름 및 동의어

SCHEMBL6727026XNWSIADBVOKMGP-SXGWCWSVSA-N2,4-dimethyl-5-[2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-1H-pyrrole-3-carboxylic acid (2-hydroxy-3-[1,2,3]triazol-1-yl-propyl)-amide2,4-dimethyl-5-[2-oxo-1,2-dihydro-indol-(3Z)-ylidene-methyl]-1H-pyrrole-3-carboxylic acid(2-hydroxy-3-[1,2,3]triazol-1-yl-propyl)-amide

데이터베이스 식별자

PubChem CID
10158242

물성

구조 계산 물성

XLogP
0.5
극성 표면적
125 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
30

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4건

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