ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Chemical Structure Depiction of
ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate
Compound characteristics
| Compound ID: | 5701-2544 |
| Compound Name: | ethyl 4-(5-propyl-2-sulfanylidene-1,3,5-triazinan-1-yl)benzoate |
| Molecular Weight: | 307.41 |
| Molecular Formula: | C15 H21 N3 O2 S |
| Smiles: | CCCN1CNC(N(C1)c1ccc(cc1)C(=O)OCC)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3758 |
| logD: | 2.674 |
| logSw: | -3.4836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.936 |
| InChI Key: | GIWVMHOZRUAXDR-UHFFFAOYSA-N |