7-[(5-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
7-[(5-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
7-[(5-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-3770 |
| Compound Name: | 7-[(5-bromothiophen-2-yl)methyl]-2-(4-methylpiperazin-1-yl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 438.39 |
| Molecular Formula: | C18 H24 Br N5 O S |
| Smiles: | CN1CCN(CC1)C1NC(C2CCN(CCC=2N=1)Cc1ccc(s1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9864 |
| logD: | 0.7667 |
| logSw: | -2.6066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.294 |
| InChI Key: | NNXACDCKQUEDKD-UHFFFAOYSA-N |