3-(4-chloro-6-{[(furan-2-yl)methyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Chemical Structure Depiction of
3-(4-chloro-6-{[(furan-2-yl)methyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
3-(4-chloro-6-{[(furan-2-yl)methyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one
Compound characteristics
| Compound ID: | 8013-5934 |
| Compound Name: | 3-(4-chloro-6-{[(furan-2-yl)methyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one |
| Molecular Weight: | 397.86 |
| Molecular Formula: | C20 H20 Cl N5 O2 |
| Smiles: | C1C2CC3C(=CC=CC3=O)C1CN(C2)c1nc(NCc2ccco2)nc(n1)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4257 |
| logD: | 4.4257 |
| logSw: | -4.5606 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.291 |
| InChI Key: | NBQZZMQMYBVCCQ-UHFFFAOYSA-N |