Ethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino]-3-methoxy-1-piperidinecarboxylate
기본 정보
- 표준 SMILES
CCOC(=O)N1CC[C@H](NC(=O)c2cc(Cl)c(N)c3c2OC(C)(C)C3)[C@H](OC)C1- InChIKey
RDSHZGIMAPCTDA-LSDHHAIUSA-N- 분자식
- C20H28ClN3O5
- 평균 분자량
- 425.9 g/mol
- 단동위원소 질량
- 425.1717487
이름 및 식별자
- 우선 이름
- Ethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino]-3-methoxy-1-piperidinecarboxylate
- IUPAC
- ethyl (3R,4S)-4-[(4-amino-5-chloro-2,2-dimethyl-3H-1-benzofuran-7-carbonyl)amino]-3-methoxypiperidine-1-carboxylate
이름 및 동의어
SCHEMBL8687210RDSHZGIMAPCTDA-LSDHHAIUSA-Nethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl )carbonylamino]-3-methoxy-1-piperidinecarboxylateethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino ]-3-methoxy-1-piperidinecarboxylateethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino]-3-methoxy- 1-piperidinecarboxylateethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino]-3-methoxy-1-piperidinecarboxylateethyl cis-4-[(4-amino-5-chloro-2,3-dihydro-2,2-dimethyl-7-benzofuranyl)carbonylamino]-3-methoxyl-piperidinecarboxylate
데이터베이스 식별자
- PubChem CID
- 15296155
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 619
관련 반응
11건
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