기본 정보
- 표준 SMILES
COC(=O)C1=C(C)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl- InChIKey
QMZPEPRAOFNSQH-ZDUSSCGKSA-N- 분자식
- C16H13ClFN3O2S
- 평균 분자량
- 365.8 g/mol
이름 및 식별자
- 우선 이름
- Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylate
- IUPAC
- methyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate
이름 및 동의어
1579251-94-7Methyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateMFCD31630421247037-81-6Methyl (r)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateCHEMBL3121560C16H13ClFN3O2Smethyl (4R)-4-(2-chloro-4-fluorophenyl)-6-methyl-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateMethyl (R)-6-(2-chloro-4-fluorophenyl)-4-methyl-2-(thiazol-2-yl)-1,6-dihydropyrimidine-5-carboxylatemethyl (4R)-4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydropyrimidine-5-carboxylateSCHEMBL15507652QMZPEPRAOFNSQH-ZDUSSCGKSA-N
이름 더 보기
Ethyl (R)-4-(2-Chloro-4-fluorophenyl)-6-methyl-2-(2-thiazolyl)-1,4-dihydropyrimidine-5-carboxylateAC4551BDBM50450814(R)-methyl 4-(2-chloro-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylateSY233360SY254158CS-0143328(R)-4-(2-chloro-4-fluoro-phenyl)-6-methyl-2-thiazol-2-yl-1,4-dihydro-pyrimidine-5-carboxylic acid methyl ester
데이터베이스 식별자
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
관련 반응
3건
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