N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea
Compound characteristics
| Compound ID: | D451-1036 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-{2-[(2-phenoxyethyl)sulfanyl]-1,3-benzothiazol-6-yl}urea |
| Molecular Weight: | 479.58 |
| Molecular Formula: | C24 H21 N3 O4 S2 |
| Smiles: | C1COc2cc(ccc2O1)NC(Nc1ccc2c(c1)sc(n2)SCCOc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2551 |
| logD: | 5.2551 |
| logSw: | -5.3803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.592 |
| InChI Key: | RKAWYWFMOGJQRR-UHFFFAOYSA-N |