2-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
2-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G205-1229 |
| Compound Name: | 2-(azepan-1-yl)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 492.39 |
| Molecular Formula: | C20 H22 Br N5 O3 S |
| Smiles: | COc1ccc(cc1CNC(C1=CN=C2N(C1=O)N=C(N1CCCCCC1)S2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4501 |
| logD: | 3.3273 |
| logSw: | -3.6863 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.201 |
| InChI Key: | QOGOYVYMBAEVBV-UHFFFAOYSA-N |