2-(2-methoxyethyl)-7-pentanoyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-7-pentanoyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(2-methoxyethyl)-7-pentanoyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-2883 |
| Compound Name: | 2-(2-methoxyethyl)-7-pentanoyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 307.39 |
| Molecular Formula: | C16 H25 N3 O3 |
| Smiles: | CCCCC(N1CCC2=C(CC1)N=C(CCOC)NC2=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6285 |
| logD: | 0.6251 |
| logSw: | -1.4676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.016 |
| InChI Key: | POCQWWRWNFAJGV-UHFFFAOYSA-N |