N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Chemical Structure Depiction of
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide
Compound characteristics
| Compound ID: | G595-0262 |
| Compound Name: | N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CCOc1cc(CNC(C2=CN=C3N(C4CCCCC=4S3)C2=O)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.6423 |
| logD: | 1.6409 |
| logSw: | -2.5078 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.878 |
| InChI Key: | MOLLHTZWKIUNFD-UHFFFAOYSA-N |