1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
Chemical Structure Depiction of
1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | 8010-8883 |
| Compound Name: | 1,3-dimethyl-5-(4-nitrophenyl)-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4(1H,3H)-dione |
| Molecular Weight: | 380.36 |
| Molecular Formula: | C19 H16 N4 O5 |
| Smiles: | CN1C2=C(C(c3ccc(cc3)[N+]([O-])=O)Nc3ccccc3O2)C(N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8064 |
| logD: | 2.8064 |
| logSw: | -3.5248 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.238 |
| InChI Key: | CMCKKJYBQLVTJB-INIZCTEOSA-N |