N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide
Chemical Structure Depiction of
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide
N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide
Compound characteristics
| Compound ID: | D519-0457 |
| Compound Name: | N-(4-butyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,2,3-thiadiazole-4-carboxamide |
| Molecular Weight: | 332.38 |
| Molecular Formula: | C15 H16 N4 O3 S |
| Smiles: | [H]N(C(c1csnn1)=O)c1ccc2c(c1)N(CCCC)C(CO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0512 |
| logD: | 2.0477 |
| logSw: | -2.9662 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.015 |
| InChI Key: | AFGDCZSZBCLZMB-UHFFFAOYSA-N |