2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Chemical Structure Depiction of
2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Compound characteristics
| Compound ID: | C679-3259 |
| Compound Name: | 2-({[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one |
| Molecular Weight: | 430.93 |
| Molecular Formula: | C19 H15 Cl N4 O2 S2 |
| Smiles: | C1CCC2=C(C1)N1C(=NC(CSc3nnc(c4ccc(cc4)[Cl])o3)=CC1=O)S2 |
| Stereo: | ACHIRAL |
| logP: | 3.6407 |
| logD: | 3.6407 |
| logSw: | -4.2234 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.201 |
| InChI Key: | PHRTUGSJVNYDRG-UHFFFAOYSA-N |