N-(4-bromophenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
N-(4-bromophenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | C243-0016 |
| Compound Name: | N-(4-bromophenyl)-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 400.25 |
| Molecular Formula: | C17 H10 Br N3 O2 S |
| Smiles: | C1C=CN2C(C=1)=Nc1c(cc(C(Nc3ccc(cc3)[Br])=O)s1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 3.9121 |
| logD: | 3.8967 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.478 |
| InChI Key: | CRYMZFULSZYZDR-UHFFFAOYSA-N |