(S)-Ethyl 1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

HCID 67088081
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기본 정보

표준 SMILES
CCOC(=O)c1cnn(Cc2ccc3c(c2)C[C@@H](NS(=O)(=O)C(C)C)C3)c1C(F)(F)F
InChIKey
NLXSKDNVTHVAOO-INIZCTEOSA-N
분자식
C20H24F3N3O4S
평균 분자량
459.5 g/mol

이름 및 식별자

우선 이름
(S)-Ethyl 1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC
ethyl 1-[[(2S)-2-(propan-2-ylsulfonylamino)-2,3-dihydro-1H-inden-5-yl]methyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

이름 및 동의어

(S)-Ethyl 1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylateSCHEMBL1590822(S)-Ethyl-1-((2-(1-methylethylsulfonamido)-2,3-dihydro-1H-inden-5-yl)methyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

데이터베이스 식별자

PubChem CID
67088081

물성

구조 계산 물성

XLogP
3.2
극성 표면적
98.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
31

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