5-amino-4-(1,3-benzothiazol-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0304 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-{4-[(propan-2-yl)oxy]phenyl}-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | CC(C)Oc1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9872 |
| logD: | 3.9872 |
| logSw: | -4.2929 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.222 |
| InChI Key: | IMTJRLLTZFPQHO-UHFFFAOYSA-N |