3-chloro-N-{4,5-dimethyl-3-[(4-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)methyl]-1,3-thiazol-2(3H)-ylidene}benzamide
Chemical Structure Depiction of
3-chloro-N-{4,5-dimethyl-3-[(4-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)methyl]-1,3-thiazol-2(3H)-ylidene}benzamide
3-chloro-N-{4,5-dimethyl-3-[(4-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)methyl]-1,3-thiazol-2(3H)-ylidene}benzamide
Compound characteristics
| Compound ID: | V027-2187 |
| Compound Name: | 3-chloro-N-{4,5-dimethyl-3-[(4-{[(pyridin-2-yl)methyl]carbamoyl}phenyl)methyl]-1,3-thiazol-2(3H)-ylidene}benzamide |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C26 H23 Cl N4 O2 S |
| Smiles: | CC1=C(C)SC(=N/C(c2cccc(c2)[Cl])=O)\N1Cc1ccc(cc1)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4474 |
| logD: | 4.4473 |
| logSw: | -4.5589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.716 |
| InChI Key: | VKIABWPOCACJGL-UHFFFAOYSA-N |