6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y020-2401 |
| Compound Name: | 6-{[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-(4-benzylpiperazin-1-yl)pyrimidin-4(3H)-one |
| Molecular Weight: | 415.54 |
| Molecular Formula: | C18 H21 N7 O S2 |
| Smiles: | C1CN(CCN1Cc1ccccc1)C1NC(C=C(CSc2nnc(N)s2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4757 |
| logD: | 1.06 |
| logSw: | -2.2259 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.295 |
| InChI Key: | YCLTVLXPCPONBS-UHFFFAOYSA-N |