3-chloro-N-[4-methyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]benzamide
Chemical Structure Depiction of
3-chloro-N-[4-methyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]benzamide
3-chloro-N-[4-methyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]benzamide
Compound characteristics
| Compound ID: | V017-1710 |
| Compound Name: | 3-chloro-N-[4-methyl-3-{[4-(pyrrolidine-1-carbonyl)phenyl]methyl}-1,3-thiazol-2(3H)-ylidene]benzamide |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | CC1=CSC(=N/C(c2cccc(c2)[Cl])=O)\N1Cc1ccc(cc1)C(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2429 |
| logD: | 4.2429 |
| logSw: | -4.5143 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.359 |
| InChI Key: | HKXBBVUSRZLORL-UHFFFAOYSA-N |