2-(azepan-1-yl)-N-[(3-bromophenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
2-(azepan-1-yl)-N-[(3-bromophenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
2-(azepan-1-yl)-N-[(3-bromophenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0643 |
| Compound Name: | 2-(azepan-1-yl)-N-[(3-bromophenyl)methyl]-7-oxo-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 462.37 |
| Molecular Formula: | C19 H20 Br N5 O2 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(NCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.497 |
| logD: | 3.1455 |
| logSw: | -3.7247 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.758 |
| InChI Key: | TWEGGZJTZDSTJO-UHFFFAOYSA-N |