N-{5-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-2-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide (HCID 68988866)

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)N=c2ccc(Oc3ccc(C)c(NC(=O)c4cc(C)nn4C)c3)cn2CC(N)=O)cc1
InChIKey: HGIXMLYVGJFPNV-UHFFFAOYSA-N
분자식: C27H28N6O5S
평균 분자량: 548.6 g/mol

이름 및 식별자

우선 이름: N-{5-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-2-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide
IUPAC: N-[5-[[1-(2-amino-2-oxoethyl)-6-(4-methylphenyl)sulfonylimino-3-pyridinyl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide

이름 및 동의어

SCHEMBL4289447SCHEMBL4289449HGIXMLYVGJFPNV-UHFFFAOYSA-NN-{5-[(1-(2-amino-2-oxoethyl)-6-{[(4-methylphenyl)sulfonyl]imino}-1,6-dihydropyridin-3-yl)oxy]-2-methylphenyl}-1,3-dimethyl-1H-pyrazole-5-carboxamide

데이터베이스 식별자

PubChem CID: 68988866

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 157 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 8
무거운 원자 수: 39
형식 전하: 0
복잡도: 1,110

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