N-[4,5-dimethyl-3-{[3-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[4,5-dimethyl-3-{[3-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
N-[4,5-dimethyl-3-{[3-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | V027-2005 |
| Compound Name: | N-[4,5-dimethyl-3-{[3-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]-3,4-dimethoxybenzamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Salt: | not_available |
| Smiles: | CC1=C(C)SC(=N/C(c2ccc(c(c2)OC)OC)=O)\N1Cc1cccc(c1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3768 |
| logD: | 3.3768 |
| logSw: | -3.5654 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.035 |
| InChI Key: | VJLCRVZKVMSBDJ-UHFFFAOYSA-N |