기본 정보
- 표준 SMILES
CO[C@@H]1CN(CCN(C)C(=O)N2CCCC2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)c2c1OCC2.O- InChIKey
PKYSKEHBZOQENI-GRTNUQQKSA-N- 분자식
- C23H36ClN5O5
- 평균 분자량
- 498 g/mol
이름 및 식별자
- 우선 이름
- cis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2-[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperidinyl]-7-benzofurancarboxamide monohydrate
- IUPAC
- N-[2-[(3R,4S)-4-[(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-carbonyl)amino]-3-methoxypiperidin-1-yl]ethyl]-N-methylpyrrolidine-1-carboxamide;hydrate
이름 및 동의어
SCHEMBL8828760PKYSKEHBZOQENI-GRTNUQQKSA-Ncis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2-[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperdinyl]-7-benzofurancarboxamide monohydratecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2-[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperidinyl]-7-benzofurancarboxamide monohydratecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperdinyl]-7-benzofurancarboxamide monohydratecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperidinyl]-7-benzofurancarboxamide monohydratecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2[methyl(1pyrrolidinylcarbonyl)amino]ethyl]-4-piperidinyl]-7-benzofurancarboxamide monohydrate
데이터베이스 식별자
- PubChem CID
- 67704495
물성
구조 계산 물성
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 694
관련 반응
12건
화합물 노트
불러오는 중…