N-[(5-bromo-2-methoxyphenyl)methyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | F149-0960 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-7-oxo-2-(pyrrolidin-1-yl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C18 H18 Br N5 O3 S |
| Smiles: | COc1ccc(cc1CNC(C1=CC(N=C2N1N=C(N1CCCC1)S2)=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.8492 |
| logD: | 2.4978 |
| logSw: | -3.4233 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.423 |
| InChI Key: | ITFVKMKWUGAEMB-UHFFFAOYSA-N |