N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | J079-1179 |
| Compound Name: | N-(2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)-2-{4-[(7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | CC1=Nc2c(cc(C)s2)C(N1NC(CN1CCN(CC1)CC1=CC(=O)Oc2cc(C)ccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9845 |
| logD: | 1.9721 |
| logSw: | -2.9992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.428 |
| InChI Key: | YCPWPIJZWCSSCT-UHFFFAOYSA-N |