N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Chemical Structure Depiction of
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Compound characteristics
| Compound ID: | E002-1798 |
| Compound Name: | N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)urea |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C19 H27 N5 O3 S |
| Smiles: | CC(C)CN(CC(C)C)c1nnc(NC(Nc2ccc3c(c2)OCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3505 |
| logD: | 4.3504 |
| logSw: | -4.2523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.011 |
| InChI Key: | BRRKZBRAIXUGCC-UHFFFAOYSA-N |