3-(4-chloro-6-{[2-(cyclohex-1-en-1-yl)ethyl]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-{[2-(cyclohex-1-en-1-yl)ethyl]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-{[2-(cyclohex-1-en-1-yl)ethyl]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: | 8013-5935 |
| Compound Name: | 3-(4-chloro-6-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,3,5-triazin-2-yl)-2,3,4,5,6,6a-hexahydro-1,5-methano-3-benzazocin-7(1H)-one |
| Molecular Weight: | 425.96 |
| Molecular Formula: | C23 H28 Cl N5 O |
| Smiles: | C1CCC(CCNc2nc(nc(n2)[Cl])N2CC3CC(C2)C2=CC=CC(C2C3)=O)=CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2161 |
| logD: | 5.2161 |
| logSw: | -5.6203 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.576 |
| InChI Key: | BBGIVEMFBHJTPL-UHFFFAOYSA-N |