(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole

HCID 18654740

基本情報

標準SMILES
CC(=O)c1ccc2c3c1C[C@@H](N(CC1CC1)CC1CC1)C[C@H]3CN2
InChIKey
NYPJYJAWPKMNJI-IRXDYDNUSA-N
分子式
C21H28N2O
平均分子量
324.5 g/mol
単同位体質量
324.22016352

名称と識別子

優先名称
(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole
IUPAC
1-[(2aR,4S)-4-[bis(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-6-yl]ethanone

名称と別名

SCHEMBL8128393NYPJYJAWPKMNJI-IRXDYDNUSA-N(-)(2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-) (2aR,4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-) (2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-)(2aR, 4S)-6-acetyl-4-[di(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole(-)(2aR,4S)-6-acetyl-4-[di -(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz -[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a, 3,4,5-hexahydrobenz-[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4, 5-hexahydrobenz[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz-[cd]indole(-)(2aR,4S)-6-acetyl-4-[di-(cyclopropylmethyl)amino]-1,2,2a,3,4,5-hexahydrobenz[cd]indole

データベース識別子

PubChem CID
18654740

物性

構造計算による物性

XLogP
3.4
極性表面積
32.3 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
6
重原子数
24

関連反応

21 件

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