N-(4-bromophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
N-(4-bromophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | C243-0244 |
| Compound Name: | N-(4-bromophenyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 414.28 |
| Molecular Formula: | C18 H12 Br N3 O2 S |
| Smiles: | CC1=CC=CN2C1=Nc1c(cc(C(Nc3ccc(cc3)[Br])=O)s1)C2=O |
| Stereo: | ACHIRAL |
| logP: | 4.1825 |
| logD: | 4.1671 |
| logSw: | -4.3254 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.499 |
| InChI Key: | RDTDKHFQRQGBEN-UHFFFAOYSA-N |