N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxy-4-nitrophenyl)urea
Chemical Structure Depiction of
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxy-4-nitrophenyl)urea
N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxy-4-nitrophenyl)urea
Compound characteristics
| Compound ID: | E002-1772 |
| Compound Name: | N-{5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxy-4-nitrophenyl)urea |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C18 H26 N6 O4 S |
| Smiles: | CC(C)CN(CC(C)C)c1nnc(NC(Nc2ccc(cc2OC)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1943 |
| logD: | 5.1898 |
| logSw: | -5.02 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.502 |
| InChI Key: | PPGLQEXRQWBKSO-UHFFFAOYSA-N |