7-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-(2-methoxyethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-(2-methoxyethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-(2-methoxyethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-3104 |
| Compound Name: | 7-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,2-oxazole-3-carbonyl}-2-(2-methoxyethyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | Cc1c(Cc2c(C(N3CCC4=C(CC3)N=C(CCOC)NC4=O)=O)noc2C)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 0.7056 |
| logD: | 0.7021 |
| logSw: | -1.4238 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.271 |
| InChI Key: | KGJZYYOKNVEZMR-UHFFFAOYSA-N |