6-(azepane-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F952-1240 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[3-(morpholin-4-yl)-3-oxopropyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C20 H27 N3 O5 S2 |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)SC(N2CCC(N1CCOCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3213 |
| logD: | 2.3213 |
| logSw: | -2.7762 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.133 |
| InChI Key: | DPGGKCOFRTXQSE-UHFFFAOYSA-N |