2-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | G072-0858 |
| Compound Name: | 2-{[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C13 H14 N6 O S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3nnc(N)[nH]3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 0.2839 |
| logD: | 0.1558 |
| logSw: | -1.583 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.348 |
| InChI Key: | FPGWTVFYXXOYTQ-UHFFFAOYSA-N |