3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | F145-0523 |
| Compound Name: | 3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0821 |
| logD: | 3.0814 |
| logSw: | -3.4711 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.182 |
| InChI Key: | TWBLHXQYFUEDFQ-UHFFFAOYSA-N |