7-[(2-bromophenyl)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-[(2-bromophenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(2-bromophenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3146 |
| Compound Name: | 7-[(2-bromophenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 419.32 |
| Molecular Formula: | C19 H23 Br N4 O2 |
| Smiles: | C1CN(CCC2=C1C(NC(=N2)N1CCOCC1)=O)Cc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.1178 |
| logD: | 1.8724 |
| logSw: | -2.7271 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.708 |
| InChI Key: | DHMQUNFBJFORMD-UHFFFAOYSA-N |