7-butyl-2-phenyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-butyl-2-phenyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-butyl-2-phenyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-3321 |
| Compound Name: | 7-butyl-2-phenyl-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 297.4 |
| Molecular Formula: | C18 H23 N3 O |
| Smiles: | CCCCN1CCC2=C(CC1)N=C(c1ccccc1)NC2=O |
| Stereo: | ACHIRAL |
| logP: | 2.7226 |
| logD: | 2.7226 |
| logSw: | -3.0787 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.983 |
| InChI Key: | COVSIBWLXPIQDM-UHFFFAOYSA-N |