ethyl 4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzoate
ethyl 4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 4777-0595 |
| Compound Name: | ethyl 4-{[(4-methylpiperazin-1-yl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C15 H22 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(NN1CCN(C)CC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0618 |
| logD: | 1.2152 |
| logSw: | -2.6727 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.253 |
| InChI Key: | AUIXSRCNKFUMFR-UHFFFAOYSA-N |