cis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[2-[methyl(1-pyrrolidinylcarbonyl)amino]ethyl]-4-piperidinyl]-7-benzofurancarboxamide monohydrate

HCID 67704495

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

관련 반응

12건

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