3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate
Chemical Structure Depiction of
3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate
3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 4477-2039 |
| Compound Name: | 3-(1,3-dimethyl-2,4,6-trioxo-2,3,4,5,6,11-hexahydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidin-5-yl)phenyl 4-methylbenzoate |
| Molecular Weight: | 505.53 |
| Molecular Formula: | C30 H23 N3 O5 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1cccc(c1)C1C2=C(c3ccccc3C2=O)NC2=C1C(N(C)C(N2C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4145 |
| logD: | 2.3097 |
| logSw: | -4.4123 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.888 |
| InChI Key: | TXJBEAFMZKLGJI-QFIPXVFZSA-N |