5-{[(2-bromoethyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[(2-bromoethyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[(2-bromoethyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8003-4116 |
| Compound Name: | 5-{[(2-bromoethyl)amino]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 278.12 |
| Molecular Formula: | C7 H8 Br N3 O2 S |
| Smiles: | C(C[Br])NC=C1C(NC(NC1=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0586 |
| logD: | -1.2299 |
| logSw: | -1.936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.871 |
| InChI Key: | VCJBUTBUWSMMOO-UHFFFAOYSA-N |