6-(((3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (HCID 3364)

기본 정보

표준 SMILES: Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1C(=O)N2C1SC(C)(C)C2C(=O)O
InChIKey: UIOFUWFRIANQPC-UHFFFAOYSA-N
분자식: C19H17ClFN3O5S
평균 분자량: 453.9 g/mol
단동위원소 질량: 453.0561477

이름 및 식별자

우선 이름: 6-(((3-(2-Chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC: 6-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

이름 및 동의어

CHEMBL1622855SCHEMBL14126462DTXSID70859683AKOS030241643NS000016546-(((3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl)carbonyl)amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid6-{[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

데이터베이스 식별자

PubChem CID: 3364
DTXSID: DTXSID70859683
ChEMBL: CHEMBL1622855

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 138 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 8
회전 가능 결합 수: 4
무거운 원자 수: 30
형식 전하: 0
복잡도: 758

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