N-[3-(methylsulfanyl)phenyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[3-(methylsulfanyl)phenyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-1306 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C21 H23 N3 O5 S3 |
| Smiles: | CSc1cccc(c1)NS(c1ccc2c(c1)SC(N2CCC(N1CCOCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.836 |
| logD: | 2.8325 |
| logSw: | -3.6427 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.74 |
| InChI Key: | ANGNXEHZQQPCSF-UHFFFAOYSA-N |