3-methylbutyl 5-[(4-bromophenyl)carbamamido]-1,2,3-thiadiazole-4-carboxylate
Chemical Structure Depiction of
3-methylbutyl 5-[(4-bromophenyl)carbamamido]-1,2,3-thiadiazole-4-carboxylate
3-methylbutyl 5-[(4-bromophenyl)carbamamido]-1,2,3-thiadiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y010-1544 |
| Compound Name: | 3-methylbutyl 5-[(4-bromophenyl)carbamamido]-1,2,3-thiadiazole-4-carboxylate |
| Molecular Weight: | 413.29 |
| Molecular Formula: | C15 H17 Br N4 O3 S |
| Smiles: | CC(C)CCOC(c1c(NC(Nc2ccc(cc2)[Br])=O)snn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4673 |
| logD: | 3.4562 |
| logSw: | -4.0876 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.002 |
| InChI Key: | NFVDBUUXNLECRL-UHFFFAOYSA-N |