N-ethyl-4-(2-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-ethyl-4-(2-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
N-ethyl-4-(2-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-0282 |
| Compound Name: | N-ethyl-4-(2-{[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}ethyl)piperazine-1-carbothioamide |
| Molecular Weight: | 354.43 |
| Molecular Formula: | C14 H22 N6 O3 S |
| Smiles: | CCNC(N1CCN(CCNC=C2C(NC(NC2=O)=O)=O)CC1)=S |
| Stereo: | ACHIRAL |
| logP: | -1.6358 |
| logD: | -1.6358 |
| logSw: | -1.7342 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.525 |
| InChI Key: | QOXPUBUTINBRQP-UHFFFAOYSA-N |