(R)-methyl 4-(2-bromo-4-fluorophenyl)-6-(bromomethyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
기본 정보
- 표준 SMILES
COC(=O)C1=C(CBr)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Br- InChIKey
ZLVLWQCLYIIYLX-ZDUSSCGKSA-N- 분자식
- C16H12Br2FN3O2S
- 평균 분자량
- 489.2 g/mol
이름 및 식별자
- 우선 이름
- (R)-methyl 4-(2-bromo-4-fluorophenyl)-6-(bromomethyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl (4R)-4-(2-bromo-4-fluorophenyl)-6-(bromomethyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
이름 및 동의어
SCHEMBL16249797ZLVLWQCLYIIYLX-ZDUSSCGKSA-N(R)-methyl 4-(2-bromo-4-fluorophenyl)-6-(bromomethyl)-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylatemethyl (4R)-4-(2-bromo-4-fluoro-phenyl)-6-(bromomethyl)-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylate
데이터베이스 식별자
- PubChem CID
- 117706695
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 590
관련 반응
2건
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