N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-chloro-4-fluorophenyl)urea
Chemical Structure Depiction of
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-chloro-4-fluorophenyl)urea
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-chloro-4-fluorophenyl)urea
Compound characteristics
| Compound ID: | E002-1779 |
| Compound Name: | N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(3-chloro-4-fluorophenyl)urea |
| Molecular Weight: | 399.92 |
| Molecular Formula: | C17 H23 Cl F N5 O S |
| Smiles: | CC(C)CN(CC(C)C)c1nnc(NC(Nc2ccc(c(c2)[Cl])F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1081 |
| logD: | 6.1072 |
| logSw: | -6.1811 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.188 |
| InChI Key: | NNHOCNICEBOYIQ-UHFFFAOYSA-N |