N-[4,5-dimethyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3-methoxybenzamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3-methoxybenzamide
N-[4,5-dimethyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3-methoxybenzamide
Compound characteristics
| Compound ID: | V029-7821 |
| Compound Name: | N-[4,5-dimethyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3-methoxybenzamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CC1=C(C)SC(=N/C(c2cccc(c2)OC)=O)\N1Cc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8845 |
| logD: | 3.8845 |
| logSw: | -3.9854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.318 |
| InChI Key: | IFSMZSCBRWMAAO-UHFFFAOYSA-N |