Ethyl (R)-6-(bromomethyl)-4-(2-chloro-3-fluorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate (HCID 118358749)

기본 정보

표준 SMILES: CCOC(=O)C1=C(CBr)NC(c2nccs2)=N[C@H]1c1cccc(F)c1Cl
InChIKey: WQHNEVXVTWXJQW-AWEZNQCLSA-N
분자식: C17H14BrClFN3O2S
평균 분자량: 458.7 g/mol
단동위원소 질량: 456.96627

이름 및 식별자

우선 이름: Ethyl (R)-6-(bromomethyl)-4-(2-chloro-3-fluorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
IUPAC: ethyl (4R)-6-(bromomethyl)-4-(2-chloro-3-fluorophenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate

이름 및 동의어

Ethyl (R)-6-(bromomethyl)-4-(2-chloro-3-fluorophenyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate1638652-90-0SCHEMBL17068148SCHEMBL30007537WQHNEVXVTWXJQW-AWEZNQCLSA-NCS-0159454ethyl (4R)-6-(bromomethyl)-4-(2-chloro-3-fluoro-phenyl)-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylate

데이터베이스 식별자

PubChem CID: 118358749

물성

구조 계산 물성

XLogP: 3.6
극성 표면적: 91.8 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 6
회전 가능 결합 수: 6
무거운 원자 수: 26
형식 전하: 0
복잡도: 607

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