3,4-dichloro-N-[4-methyl-3-({3-[(propan-2-yl)carbamoyl]phenyl}methyl)-1,3-thiazol-2(3H)-ylidene]benzamide
Chemical Structure Depiction of
3,4-dichloro-N-[4-methyl-3-({3-[(propan-2-yl)carbamoyl]phenyl}methyl)-1,3-thiazol-2(3H)-ylidene]benzamide
3,4-dichloro-N-[4-methyl-3-({3-[(propan-2-yl)carbamoyl]phenyl}methyl)-1,3-thiazol-2(3H)-ylidene]benzamide
Compound characteristics
| Compound ID: | V026-3077 |
| Compound Name: | 3,4-dichloro-N-[4-methyl-3-({3-[(propan-2-yl)carbamoyl]phenyl}methyl)-1,3-thiazol-2(3H)-ylidene]benzamide |
| Molecular Weight: | 462.4 |
| Molecular Formula: | C22 H21 Cl2 N3 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)NC(c1cccc(CN2C(C)=CSC/2=N/C(c2ccc(c(c2)[Cl])[Cl])=O)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9047 |
| logD: | 4.9047 |
| logSw: | -5.0272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.004 |
| InChI Key: | XXLWRTBOCCVCAB-UHFFFAOYSA-N |