기본 정보
- 표준 SMILES
CCCCCCc1nc(C(C)(C)C)ncc1C(=O)N(CC(C)C)[C@H]1C[C@@H](C(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1- InChIKey
RMSVGIFXTGSWFD-FTJBHMTQSA-N- 분자식
- C34H57N5O5
- 평균 분자량
- 615.8 g/mol
이름 및 식별자
- 우선 이름
- tert-butyl (3S,5R)-3-{[(2-tert-butyl-4-hexylpyrimidin-5-yl)carbonyl](2-methylpropyl)amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,5R)-3-[(2-tert-butyl-4-hexylpyrimidine-5-carbonyl)-(2-methylpropyl)amino]-5-(morpholine-4-carbonyl)piperidine-1-carboxylate
이름 및 동의어
SCHEMBL2223145RMSVGIFXTGSWFD-FTJBHMTQSA-Ntert-Butyl (3S,5R)-3-{[(2-tert-butyl-4-hexylpyrimidin-5-yl) carbonyl](2-methylpropyl)amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl (3S,5R)-3-{[(2-tert-butyl-4-hexylpyrimidin-5-yl)carbonyl](2-methylpropyl)amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylatetert-butyl(3S,5R)-3-{[(2-tert-butyl-4-hexylpyrimidin-5-yl)carbonyl](2-methylpropyl)amino}-5-(morpholin-4-ylcarbonyl)piperidine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 58355247
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 939
관련 반응
8건
화합물 노트
불러오는 중…