기본 정보
- 표준 SMILES
COC(=O)c1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1- InChIKey
RGAWJXRBKYJCHA-HOTGVXAUSA-N- 분자식
- C19H26N2O4
- 평균 분자량
- 346.4 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl (1S,4S)-5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
- IUPAC
- tert-butyl (1S,4S)-5-[(4-methoxycarbonylphenyl)methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
이름 및 동의어
927679-46-7tert-Butyl (1S,4S)-5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate(1S,4S)-tert-butyl 5-(4-(methoxycarbonyl)benzyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylateSCHEMBL14606175RGAWJXRBKYJCHA-HOTGVXAUSA-N1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2, 5-diazabicyclo[2.2.1]heptane-2-carboxylate1,1-dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1 ]heptane-2-carboxylate1,1-Dimethylethyl (1S,4S)-5-[[4-(methoxycarbonyl)phenyl]methyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 71213169
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 59.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 508
관련 반응
3건
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