rel-(8aR,11aS)-1-[(5-methylthiophen-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-[(5-methylthiophen-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-[(5-methylthiophen-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0156 |
| Compound Name: | rel-(8aR,11aS)-1-[(5-methylthiophen-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 306.47 |
| Molecular Formula: | C17 H26 N2 O S |
| Smiles: | Cc1ccc(CN2CCCCCNC([C@@H]3CCC[C@H]23)=O)s1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.6395 |
| logD: | 1.1162 |
| logSw: | -3.0345 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1424 |
| InChI Key: | BWSQMAROSJRTAT-CVEARBPZSA-N |