4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzene-1-sulfonate
4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3807-4153 |
| Compound Name: | 4-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,5a,6-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 541.58 |
| Molecular Formula: | C29 H23 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2C(c3ccccc3C2=O)=NC2=C1C(N(C)C(N2C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3205 |
| logD: | 2.4612 |
| logSw: | -4.4524 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 87.502 |
| InChI Key: | SFSCIDBLQNOCGR-UHFFFAOYSA-N |