rel-(8aR,11aS)-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,11aS)-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,11aS)-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S788-0122 |
| Compound Name: | rel-(8aR,11aS)-1-{5-[(1H-1,2,4-triazol-1-yl)methyl]furan-2-carbonyl}dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 371.44 |
| Molecular Formula: | C19 H25 N5 O3 |
| Smiles: | C1CCNC([C@@H]2CCC[C@@H]2N(CC1)C(c1ccc(Cn2cncn2)o1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4521 |
| logD: | 0.4521 |
| logSw: | -1.6668 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.692 |
| InChI Key: | RKOCLMPHUHUCHZ-CVEARBPZSA-N |