5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0241 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-methyl-5-nitrophenyl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 366.4 |
| Molecular Formula: | C18 H14 N4 O3 S |
| Smiles: | Cc1ccc(cc1N1CC(C(=C1N)c1nc2ccccc2s1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8129 |
| logD: | 3.8129 |
| logSw: | -4.1388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.5 |
| InChI Key: | UABZEBRIHSDIOO-UHFFFAOYSA-N |