2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one
Chemical Structure Depiction of
2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one
2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8012-5404 |
| Compound Name: | 2-{[1-(2H-1,3-benzodioxol-5-yl)-1H-tetrazol-5-yl]sulfanyl}-1-(2-chloro-10H-phenothiazin-10-yl)ethan-1-one |
| Molecular Weight: | 495.96 |
| Molecular Formula: | C22 H14 Cl N5 O3 S2 |
| Smiles: | C1Oc2ccc(cc2O1)n1c(nnn1)SCC(N1c2ccccc2Sc2ccc(cc12)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1546 |
| logD: | 5.1546 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.38 |
| InChI Key: | YVYRMSSYGZBQEX-UHFFFAOYSA-N |