3-[(3-nitrophenyl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3-[(3-nitrophenyl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
3-[(3-nitrophenyl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | K698-0029 |
| Compound Name: | 3-[(3-nitrophenyl)methyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | C1Cc2c3C(N(Cc4cccc(c4)[N+]([O-])=O)C=Nc3sc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7812 |
| logD: | 2.7812 |
| logSw: | -3.2274 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.909 |
| InChI Key: | UMQHUYAQPZZYCB-UHFFFAOYSA-N |