N-benzyl-2-(butylamino)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
Chemical Structure Depiction of
N-benzyl-2-(butylamino)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
N-benzyl-2-(butylamino)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide
Compound characteristics
| Compound ID: | V002-8099 |
| Compound Name: | N-benzyl-2-(butylamino)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-1,3-thiazole-4-carboxamide |
| Molecular Weight: | 457.64 |
| Molecular Formula: | C24 H35 N5 O2 S |
| Smiles: | CCCCNc1nc(cs1)C(N(CCC(N1CCN(CC)CC1)=O)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1581 |
| logD: | 2.8377 |
| logSw: | -3.1954 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.479 |
| InChI Key: | NWRUFFAFCTWHMH-UHFFFAOYSA-N |