3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(cyclohex-1-en-1-yl)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-(cyclohex-1-en-1-yl)ethyl]benzamide
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | F187-0614 |
| Compound Name: | 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | C1CCC(CCNC(c2cccc(c2)N2CC(C(=C2N)c2nc3ccccc3s2)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2107 |
| logD: | 4.2107 |
| logSw: | -4.4268 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.867 |
| InChI Key: | YFKCBNIUCSNUON-UHFFFAOYSA-N |