7-[(3-chlorophenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3-chlorophenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3-chlorophenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | CM2409-5901 |
| Compound Name: | 7-[(3-chlorophenyl)acetyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 317.77 |
| Molecular Formula: | C16 H16 Cl N3 O2 |
| Smiles: | C1CN(CCC2=C1C(NC=N2)=O)C(Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.2175 |
| logD: | 1.2067 |
| logSw: | -2.5076 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.165 |
| InChI Key: | UUTCUTTXSPLDSZ-UHFFFAOYSA-N |