N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-1283 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-6,7,8,9,10,11-hexahydro-4H-cycloocta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 476.39 |
| Molecular Formula: | C21 H22 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(C1=CN=C2N(C3CCCCCCC=3S2)C1=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.7669 |
| logD: | 3.7225 |
| logSw: | -3.9461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.998 |
| InChI Key: | IHQLVOIWZFEAEX-UHFFFAOYSA-N |