2-chloro-7,9-dimethyl-11-(2-methylphenyl)-6-(thiophen-2-yl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
Chemical Structure Depiction of
2-chloro-7,9-dimethyl-11-(2-methylphenyl)-6-(thiophen-2-yl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
2-chloro-7,9-dimethyl-11-(2-methylphenyl)-6-(thiophen-2-yl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione
Compound characteristics
| Compound ID: | D477-0238 |
| Compound Name: | 2-chloro-7,9-dimethyl-11-(2-methylphenyl)-6-(thiophen-2-yl)-6H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]benzoxazine-8,10(7H,9H)-dione |
| Molecular Weight: | 489.98 |
| Molecular Formula: | C26 H20 Cl N3 O3 S |
| Smiles: | Cc1ccccc1c1c2C(N(C)C(N(C)c2c2C(c3cccs3)Oc3ccc(cc3n12)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8732 |
| logD: | 5.8732 |
| logSw: | -5.9929 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.581 |
| InChI Key: | PRRFBHXMDBMGJS-XMMPIXPASA-N |