기본 정보
- 표준 SMILES
COC(=O)[C@@H]1C[C@H](N(CC(C)C)C(=O)c2nnn(-c3ccccc3F)c2CSC)CN(C(=O)OC(C)(C)C)C1- InChIKey
ARLKNGPVXYZYSB-MOPGFXCFSA-N- 분자식
- C27H38FN5O5S
- 평균 분자량
- 563.7 g/mol
이름 및 식별자
- 우선 이름
- 1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
- IUPAC
- 1-O-tert-butyl 3-O-methyl (3R,5S)-5-[[1-(2-fluorophenyl)-5-(methylsulfanylmethyl)triazole-4-carbonyl]-(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
이름 및 동의어
SCHEMBL7948172ARLKNGPVXYZYSB-MOPGFXCFSA-N1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl) (2-methylpropyl)amino]piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl (3R,5S)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate1-tert-butyl 3-methyl(3r,5s)-5-[({1-(2-fluorophenyl)-5-[(methylsulfanyl)methyl]-1h-1,2,3-triazol-4-yl}carbonyl)(2-methylpropyl)amino]piperidine-1,3-dicarboxylate
데이터베이스 식별자
- PubChem CID
- 58355482
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 859
관련 반응
4건
화합물 노트
불러오는 중…