7-[(3,4-dimethylphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(3,4-dimethylphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3,4-dimethylphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-1855 |
| Compound Name: | 7-[(3,4-dimethylphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | Cc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCOCC2)cc1C |
| Stereo: | ACHIRAL |
| logP: | 2.3389 |
| logD: | 1.1216 |
| logSw: | -2.8258 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.708 |
| InChI Key: | PQCJWEYJWOOTKP-UHFFFAOYSA-N |