ethyl 4-{[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate
ethyl 4-{[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y600-0951 |
| Compound Name: | ethyl 4-{[4-(oxolane-2-carbonyl)piperazine-1-carbothioyl]amino}benzoate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCN(CC1)C(C1CCCO1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3822 |
| logD: | 2.3822 |
| logSw: | -2.7446 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.758 |
| InChI Key: | AGKUBNXBWJATNW-INIZCTEOSA-N |