N-[(3-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[(3-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0301 |
| Compound Name: | N-[(3-bromophenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 418.31 |
| Molecular Formula: | C18 H16 Br N3 O2 S |
| Smiles: | C1CCC2=C(C1)N1C(=NC=C(C(NCc3cccc(c3)[Br])=O)C1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 2.6347 |
| logD: | 2.5903 |
| logSw: | -2.9466 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.037 |
| InChI Key: | CSMQVWJKVRUFNL-UHFFFAOYSA-N |