Ethyl 3-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl] (methyl)amino}methyl)-1,2,4-oxadiazole-5-carboxylate

HCID 58393145

기본 정보

표준 SMILES
CCOC(=O)c1nc(CN(C)S(=O)(=O)c2c(C)cc(OC)cc2C)no1
InChIKey
ORTMMNMUXJGVJG-UHFFFAOYSA-N
분자식
C16H21N3O6S
평균 분자량
383.4 g/mol
단동위원소 질량
383.11510657

이름 및 식별자

우선 이름
Ethyl 3-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl] (methyl)amino}methyl)-1,2,4-oxadiazole-5-carboxylate
IUPAC
ethyl 3-[[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]methyl]-1,2,4-oxadiazole-5-carboxylate

이름 및 동의어

SCHEMBL1935688ORTMMNMUXJGVJG-UHFFFAOYSA-Nethyl 3-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl] (methyl)amino}methyl)-1,2,4-oxadiazole-5-carboxylateEthyl 3-({[(4-methoxy-2,6-dimethylphenyl)sulfonyl](methyl)amino}methyl)-1,2,4-oxadiazole-5-carboxylate

데이터베이스 식별자

PubChem CID
58393145

물성

구조 계산 물성

XLogP
2.1
극성 표면적
120 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
26

관련 반응

4건

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