4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[benzyl(methyl)amino]ethyl}benzamide
Chemical Structure Depiction of
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[benzyl(methyl)amino]ethyl}benzamide
4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[benzyl(methyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | F187-0488 |
| Compound Name: | 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[benzyl(methyl)amino]ethyl}benzamide |
| Molecular Weight: | 497.62 |
| Molecular Formula: | C28 H27 N5 O2 S |
| Smiles: | CN(CCNC(c1ccc(cc1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5223 |
| logD: | 3.316 |
| logSw: | -3.8996 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.769 |
| InChI Key: | YDVGHPMCZGPEIV-UHFFFAOYSA-N |