2-{[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]sulfanyl}ethan-1-ol
Chemical Structure Depiction of
2-{[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]sulfanyl}ethan-1-ol
2-{[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]sulfanyl}ethan-1-ol
Compound characteristics
| Compound ID: | 4872-0441 |
| Compound Name: | 2-{[1,1-dichloro-3-(1,3-diazinan-2-ylidene)-3-nitroprop-1-en-2-yl]sulfanyl}ethan-1-ol |
| Molecular Weight: | 314.19 |
| Molecular Formula: | C9 H13 Cl2 N3 O3 S |
| Smiles: | C1CNC(=C(C(=C([Cl])[Cl])SCCO)[N+]([O-])=O)NC1 |
| Stereo: | ACHIRAL |
| logP: | 0.8676 |
| logD: | 0.8676 |
| logSw: | -1.9123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.923 |
| InChI Key: | OBEDBCOMLZWWIG-UHFFFAOYSA-N |