N-[3-(4-nitrobenzamido)propyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-[3-(4-nitrobenzamido)propyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
N-[3-(4-nitrobenzamido)propyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V005-8280 |
| Compound Name: | N-[3-(4-nitrobenzamido)propyl]-2-{[4-(propan-2-yl)phenoxy]methyl}-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CC(C)c1ccc(cc1)OCc1nc(cs1)C(NCCCNC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2098 |
| logD: | 4.2098 |
| logSw: | -4.1265 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.13 |
| InChI Key: | IQRMOGXOGUZULP-UHFFFAOYSA-N |