Methyl6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine-5-카르복실레이트
Methyl 6-(4-fluorophenyl)-2-(methylsulfanyl)-4-(propan-2-yl)-1,4-dihydropyrimidine-5-carboxylate
기본 정보
- CAS
885100-76-5- 표준 SMILES
COC(=O)C1=C(c2ccc(F)cc2)NC(SC)=NC1C(C)C- InChIKey
DJCGVJOZWRJIQV-UHFFFAOYSA-N- 분자식
- C16H19FN2O2S
- 평균 분자량
- 322.4 g/mol
- 단동위원소 질량
- 322.11512719
이름 및 식별자
- 우선 이름
- Methyl 6-(4-fluorophenyl)-2-(methylsulfanyl)-4-(propan-2-yl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl 6-(4-fluorophenyl)-2-methylsulfanyl-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylate
- 현지명
- Methyl6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine-5-카르복실레이트
- 영어명
- Methyl 6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine -5-carboxylate
- 분자식
- C16H19FN2O2S
- 분자량
- 322.4
이름 및 동의어
885100-76-5Methyl 6-(4-fluorophenyl)-2-(methylsulfanyl)-4-(propan-2-yl)-1,4-dihydropyrimidine-5-carboxylateMethyl 6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidinemethyl 6-(4-fluorophenyl)-4-isopropyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylatemethyl 6-(4-fluorophenyl)-2-methylsulfanyl-4-propan-2-yl-1,4-dihydropyrimidine-5-carboxylateMethyl 6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine-5-carboxylatestarbld00036246-(4-Fluorophenyl)-1,4-dihydro-4-(1-methylethyl)-2-(methylthio)-5-pyrimidinecarboxylic acid Methyl EsterSCHEMBL14467270DTXSID90744183DB-265490Methyl6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine-5-카르복실레이트
이름 더 보기
Methyl 6-(4-Fluorophenyl)-4-isopropyl-2-methylthio-1,4-dihydropyrimidine -5-carboxylate5-Pyrimidinecarboxylic acid, 6-(4-fluorophenyl)-1,4-dihydro-4-(1-methylethyl)-2-(methylthio)-, methyl ester
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 483
물리화학적 성질
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 노랑
화학 및 산업
응용 분야
용도An intermediate of Rosuvastatin (R700500).
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