1,3-dimethyl-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1,3-dimethyl-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
1,3-dimethyl-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8010-1352 |
| Compound Name: | 1,3-dimethyl-5-{[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | CN1CCN(CC1)c1ccc(C=C2C(N(C)C(N(C)C2=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.3289 |
| logD: | 0.8691 |
| logSw: | -2.0582 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.834 |
| InChI Key: | LEZKPUQCKQHUGY-UHFFFAOYSA-N |