tert-butyl (R)-4-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethoxy)phenyl]piperazine-1-carboxylate
기본 정보
- CAS
681492-29-5- 표준 SMILES
CC(C)(C)OC(=O)N1CCN(c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)CC1- InChIKey
DFIMJAFSYQMVHE-JOCHJYFZSA-N- 분자식
- C22H29N5O6
- 평균 분자량
- 459.5 g/mol
- 단동위원소 질량
- 459.21178366
이름 및 식별자
- 우선 이름
- tert-butyl (R)-4-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethoxy)phenyl]piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]piperazine-1-carboxylate
이름 및 동의어
SCHEMBL2089496CHEMBL3739576DFIMJAFSYQMVHE-JOCHJYFZSA-NDTXSID301104214[(2R)-2-[[4-(4-tert-butoxycarbonylpiperazin-1-yl)phenoxy]methyl]-2-methyl-3H-imidazo[2,1-b]oxazol-6-yl]azinic acid1,1-Dimethylethyl 4-[4-[[(2R)-2,3-dihydro-2-methyl-6-nitroimidazo[2,1-b]oxazol-2-yl]methoxy]phenyl]-1-piperazinecarboxylate681492-29-5tert-butyl (R)-4-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethoxy)phenyl]piperazine-1-carboxylatetert-butyl(R)-4-[4-(2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazol-2-ylmethoxy)phenyl]piperazine-1-carboxylate
데이터베이스 식별자
- CAS
681492-29-5- PubChem CID
- 67274388
- DTXSID
DTXSID301104214- ChEMBL
CHEMBL3739576
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 115 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 711
관련 반응
7건
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