3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[cyclohexyl(methyl)amino]ethyl}benzamide
Chemical Structure Depiction of
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[cyclohexyl(methyl)amino]ethyl}benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[cyclohexyl(methyl)amino]ethyl}benzamide
Compound characteristics
| Compound ID: | F187-0656 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-{2-[cyclohexyl(methyl)amino]ethyl}benzamide |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C27 H31 N5 O2 S |
| Smiles: | CN(CCNC(c1cccc(c1)N1CC(C(=C1N)c1nc2ccccc2s1)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8276 |
| logD: | 2.8918 |
| logSw: | -3.9722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.712 |
| InChI Key: | OMHFZCPTXJMPSC-UHFFFAOYSA-N |