N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D336-0121 |
| Compound Name: | N-(2-{[2-(morpholin-4-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C21 H19 N3 O5 S2 |
| Smiles: | C1COCCN1C(CSc1nc2ccc(cc2s1)NC(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1662 |
| logD: | 3.1661 |
| logSw: | -3.4573 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.556 |
| InChI Key: | ZLVZVLZDNYIZCD-UHFFFAOYSA-N |