N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | G595-0954 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-4-oxo-7,8,9,10-tetrahydro-4H,6H-cyclohepta[4,5][1,3]thiazolo[3,2-a]pyrimidine-3-carboxamide |
| Molecular Weight: | 462.36 |
| Molecular Formula: | C20 H20 Br N3 O3 S |
| Smiles: | COc1ccc(cc1CNC(C1=CN=C2N(C3CCCCCC=3S2)C1=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.271 |
| logD: | 3.2266 |
| logSw: | -3.4081 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.998 |
| InChI Key: | GCURESICQJTOAL-UHFFFAOYSA-N |