7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-6247 |
| Compound Name: | 7-{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-carbonyl}-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 368.39 |
| Molecular Formula: | C19 H20 N4 O4 |
| Smiles: | Cc1c(Cc2ccc(C(N3CCC4=C(CC3)N=CNC4=O)=O)o2)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 0.8429 |
| logD: | 0.8322 |
| logSw: | -1.912 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.301 |
| InChI Key: | UYXHGUTXNYEZFR-UHFFFAOYSA-N |