N-{2-[(4-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-{2-[(4-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
N-{2-[(4-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V031-3038 |
| Compound Name: | N-{2-[(4-{2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-1,3-thiazol-2-yl)amino]-2-oxoethyl}-N-(propan-2-yl)benzamide |
| Molecular Weight: | 540.08 |
| Molecular Formula: | C27 H30 Cl N5 O3 S |
| Smiles: | CC(C)N(CC(Nc1nc(CC(N2CCN(CC2)c2ccccc2[Cl])=O)cs1)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5407 |
| logD: | 4.5387 |
| logSw: | -4.4886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.965 |
| InChI Key: | HLIWSMFTBZQPIN-UHFFFAOYSA-N |