N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L062-0598 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{[(4-bromophenyl)carbamamido]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 476.31 |
| Molecular Formula: | C18 H14 Br N5 O4 S |
| Smiles: | C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)NC(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5232 |
| logD: | 3.5223 |
| logSw: | -3.7881 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.07 |
| InChI Key: | MWHUHYSGYVJFLA-UHFFFAOYSA-N |