2-(azepan-1-yl)-N-{2-[cyclohexyl(methyl)amino]ethyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-{2-[cyclohexyl(methyl)amino]ethyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-{2-[cyclohexyl(methyl)amino]ethyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0621 |
| Compound Name: | 2-(azepan-1-yl)-N-{2-[cyclohexyl(methyl)amino]ethyl}-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 432.59 |
| Molecular Formula: | C21 H32 N6 O2 S |
| Smiles: | CN(CCNC(C1=CC(N=C2N1N=C(N1CCCCCC1)S2)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 2.6649 |
| logD: | 1.1059 |
| logSw: | -2.9346 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.637 |
| InChI Key: | QHCXXYBKUXTTCD-UHFFFAOYSA-N |