기본 정보
- 표준 SMILES
CO[C@@H]1CN(CCCC2(C)OCCO2)CC[C@@H]1NC(=O)c1cc(Cl)c(N)c2c1OC(C)(C)C2- InChIKey
LIZFKPSEROVNSC-RBUKOAKNSA-N- 분자식
- C24H36ClN3O5
- 평균 분자량
- 482 g/mol
이름 및 식별자
- 우선 이름
- cis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-piperidinyl]2,2-dimethyl-7-benzofurancarboxamide
- IUPAC
- 4-amino-5-chloro-N-[(3R,4S)-3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]piperidin-4-yl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide
이름 및 동의어
SCHEMBL8869102LIZFKPSEROVNSC-RBUKOAKNSA-Ncis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-piperidinyl]-2,2 -dimethyl-7-benzofurancarboxamidecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-piperidinyl]-2,2-dimethyl-7-benzofurancarboxamidecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]-4-piperidinyl]2,2-dimethyl-7-benzofurancarboxamidecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-1-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]4-piperidinyl]-2,2-dimethyl-7-benzofurancarboxamidecis-4-amino-5-chloro-2,3-dihydro-N-[3-methoxy-l-[3-(2-methyl-1,3-dioxolan-2-yl)propyl ]-4-piperidinyl]-2,2-dimethyl-7-benzofurancarboxamide
데이터베이스 식별자
- PubChem CID
- 67712855
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 95.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 689
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