5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-1,2-dihydro-3H-pyrrol-3-one
Chemical Structure Depiction of
5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-1,2-dihydro-3H-pyrrol-3-one
5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-1,2-dihydro-3H-pyrrol-3-one
Compound characteristics
| Compound ID: | D086-0234 |
| Compound Name: | 5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-bromophenyl)-1,2-dihydro-3H-pyrrol-3-one |
| Molecular Weight: | 386.27 |
| Molecular Formula: | C17 H12 Br N3 O S |
| Smiles: | C1C(C(=C(N)N1c1cccc(c1)[Br])c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0892 |
| logD: | 4.0892 |
| logSw: | -4.5304 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.42 |
| InChI Key: | YJIULOSBUQWWEW-UHFFFAOYSA-N |