5-({4-[bis(2-methylpropyl)amino]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({4-[bis(2-methylpropyl)amino]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({4-[bis(2-methylpropyl)amino]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8006-2415 |
| Compound Name: | 5-({4-[bis(2-methylpropyl)amino]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C19 H24 N4 O4 S |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1951 |
| logD: | 3.7695 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.692 |
| InChI Key: | BWEKPQUKWLNUKX-UHFFFAOYSA-N |