S-(1,3-benzothiazol-2-yl) 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate
Chemical Structure Depiction of
S-(1,3-benzothiazol-2-yl) 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate
S-(1,3-benzothiazol-2-yl) 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate
Compound characteristics
| Compound ID: | 8019-9582 |
| Compound Name: | S-(1,3-benzothiazol-2-yl) 3-{[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amino}propanethioate |
| Molecular Weight: | 360.5 |
| Molecular Formula: | C17 H20 N4 O S2 |
| Smiles: | Cc1c(CNCCC(=O)Sc2nc3ccccc3s2)c(C)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.3577 |
| logD: | -2.7543 |
| logSw: | -2.7251 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.547 |
| InChI Key: | NRBJQXXEDUQNDE-UHFFFAOYSA-N |