N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Compound characteristics
| Compound ID: | E002-1307 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
| Molecular Weight: | 375.45 |
| Molecular Formula: | C17 H21 N5 O3 S |
| Smiles: | C1CCCN(CC1)c1nnc(NC(Nc2ccc3c(c2)OCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2575 |
| logD: | 3.2575 |
| logSw: | -3.4199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.508 |
| InChI Key: | MJSXGQPGMFEABM-UHFFFAOYSA-N |