{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
Chemical Structure Depiction of
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
{2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone
Compound characteristics
Compound ID: | S029-0054 |
Compound Name: | {2-[(2-methoxyethyl)amino]-4,5-dihydrospiro[[1,4]benzodiazepine-3,3'-pyrrolidin]-1'-yl}(3-methylthiophen-2-yl)methanone |
Molecular Weight: | 398.53 |
Molecular Formula: | C21 H26 N4 O2 S |
Smiles: | Cc1ccsc1C(N1CCC2(C1)C(NCCOC)=Nc1ccccc1CN2)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.3869 |
logD: | 2.3782 |
logSw: | -2.6358 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 58.843 |
InChI Key: | MYMLIUKADGXTNT-NRFANRHFSA-N |