기본 정보
- CAS
247037-77-0- 표준 SMILES
COC(=O)C1=C(C)NC(c2nccs2)=NC1c1ccc(F)cc1Cl- InChIKey
QMZPEPRAOFNSQH-UHFFFAOYSA-N- 분자식
- C16H13ClFN3O2S
- 평균 분자량
- 365.8 g/mol
- 단동위원소 질량
- 365.0401037
이름 및 식별자
- 우선 이름
- Methyl 4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- 영어명
- methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- 분자식
- C16H13ClFN3O2S
- 분자량
- 365.81
이름 및 동의어
247037-77-0Methyl 4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateMethyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateCHEMBL4208714methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate247037-81-6Methyl (r)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate5-Pyrimidinecarboxylic acid, 4-(2-chloro-4-fluorophenyl)-1,4-dihydro-6-methyl-2-(2-thiazolyl)-, methyl esterC16H13ClFN3O2SMFCD31630420SCHEMBL15507655QMZPEPRAOFNSQH-UHFFFAOYSA-N
이름 더 보기
EOS-60667
Ethyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateAC5723BDBM50450812SB58794SY233359DB-128493CS-01433264-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester
데이터베이스 식별자
- CAS
247037-77-0- PubChem CID
- 9820500
- ChEMBL
CHEMBL4208714
물성
구조 계산 물성
- XLogP
- 3
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 572
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