7-[(3-bromo-4-methoxyphenyl)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-bromo-4-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(3-bromo-4-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3130 |
| Compound Name: | 7-[(3-bromo-4-methoxyphenyl)methyl]-2-(morpholin-4-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 449.35 |
| Molecular Formula: | C20 H25 Br N4 O3 |
| Smiles: | COc1ccc(CN2CCC3=C(CC2)N=C(NC3=O)N2CCOCC2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8469 |
| logD: | 1.5056 |
| logSw: | -2.5378 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.338 |
| InChI Key: | SGAUCXMKHWLNIF-UHFFFAOYSA-N |