3-chloro-N-[3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]benzamide
Chemical Structure Depiction of
3-chloro-N-[3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]benzamide
3-chloro-N-[3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]benzamide
Compound characteristics
| Compound ID: | V027-2117 |
| Compound Name: | 3-chloro-N-[3-{[4-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-4,5-dimethyl-1,3-thiazol-2(3H)-ylidene]benzamide |
| Molecular Weight: | 497.06 |
| Molecular Formula: | C26 H29 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(c1ccc(CN2C(C)=C(C)SC/2=N/C(c2cccc(c2)[Cl])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9352 |
| logD: | 3.759 |
| logSw: | -4.2566 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.945 |
| InChI Key: | PWIARHPEYNZYDB-UHFFFAOYSA-N |