N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
Compound characteristics
| Compound ID: | E002-1316 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-[5-(pyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]urea |
| Molecular Weight: | 347.39 |
| Molecular Formula: | C15 H17 N5 O3 S |
| Smiles: | C1CCN(C1)c1nnc(NC(Nc2ccc3c(c2)OCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.4583 |
| logD: | 2.4583 |
| logSw: | -3.0627 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.543 |
| InChI Key: | XFFFFHGGHWRXRT-UHFFFAOYSA-N |