기본 정보
- 표준 SMILES
C[C@H]1Cn2c(cc(Cl)nc2=O)N1C(=O)OC(C)(C)C- InChIKey
TYOXFGCYGAZCMI-ZETCQYMHSA-N- 분자식
- C12H16ClN3O3
- 평균 분자량
- 285.73 g/mol
이름 및 식별자
- 우선 이름
- (S)-tert-butyl 7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate
- IUPAC
- tert-butyl (2S)-7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1-carboxylate
이름 및 동의어
SCHEMBL15900731TYOXFGCYGAZCMI-ZETCQYMHSA-N(S)-tert-butyl 7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1 (5H)-carboxylate(S)-tert-butyl 7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate(S)-tert-butyl,7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1 (5H)-carboxylate(S)-tert-butyl-7-chloro-2-meth yl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate(S)-tert-butyl-7-chloro-2-meth-yl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate(S)-tert-butyl-7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1 (5H)-carboxylate(S)-tert-butyl-7-chloro-2-methyl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate(S)-tert-butyl7-chloro-2-meth yl-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-1(5H)-carboxylate
데이터베이스 식별자
- PubChem CID
- 86728347
물성
구조 계산 물성
- XLogP
- 1.7
- 극성 표면적
- 62.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 493
관련 반응
11건
화합물 노트
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