N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0552 |
| Compound Name: | N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C24 H27 N3 O4 S |
| Smiles: | CC(c1ccc2c(c1)OCCO2)NC(CCC1NC(c2c3CCCCCc3sc2N=1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0265 |
| logD: | 3.0259 |
| logSw: | -3.5058 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.512 |
| InChI Key: | QPKKEZDILAQIIS-AWEZNQCLSA-N |