5-({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8005-2153 |
| Compound Name: | 5-({4-[(1,3-benzothiazol-2-yl)sulfanyl]-3-nitrophenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C18 H10 N4 O4 S3 |
| Smiles: | C(=C1C(NC(NC1=O)=S)=O)c1ccc(c(c1)[N+]([O-])=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9933 |
| logD: | 4.5677 |
| logSw: | -4.9528 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.516 |
| InChI Key: | LGLVFYQHJBBAGB-UHFFFAOYSA-N |