N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide
Compound characteristics
| Compound ID: | F952-1254 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(morpholin-4-yl)-3-oxopropyl]-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonamide |
| Molecular Weight: | 505.57 |
| Molecular Formula: | C22 H23 N3 O7 S2 |
| Smiles: | C(CN1C(=O)Sc2cc(ccc12)S(NCc1ccc2c(c1)OCO2)(=O)=O)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2493 |
| logD: | 2.2492 |
| logSw: | -2.9232 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.965 |
| InChI Key: | PRHRDKYGJAVHQG-UHFFFAOYSA-N |