7-[(5-bromo-2-methoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(5-bromo-2-methoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(5-bromo-2-methoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2633 |
| Compound Name: | 7-[(5-bromo-2-methoxyphenyl)methyl]-2-(dimethylamino)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 407.31 |
| Molecular Formula: | C18 H23 Br N4 O2 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1cc(ccc1OC)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1815 |
| logD: | 1.6623 |
| logSw: | -2.9772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.782 |
| InChI Key: | XLLHJNQYWXQICC-UHFFFAOYSA-N |