6-amino-2-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Chemical Structure Depiction of
6-amino-2-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
6-amino-2-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]sulfanyl}pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | Y512-0177 |
| Compound Name: | 6-amino-2-{[(2-sulfanylidene-1,3-benzothiazol-3(2H)-yl)methyl]sulfanyl}pyrimidin-4(3H)-one |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C12 H10 N4 O S3 |
| Smiles: | C(N1C(=S)Sc2ccccc12)SC1NC(C=C(N)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.805 |
| logD: | 1.802 |
| logSw: | -2.37 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 55.5 |
| InChI Key: | AGKKLDCUBRLRPN-UHFFFAOYSA-N |