1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}ethan-1-one
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | L349-0711 |
| Compound Name: | 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-{[4-(4-methylbenzene-1-sulfonyl)-1,3-thiazol-5-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 454.58 |
| Molecular Formula: | C19 H22 N2 O5 S3 |
| Smiles: | Cc1ccc(cc1)S(c1c(SCC(N2CCC3(CC2)OCCO3)=O)scn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6851 |
| logD: | 2.6851 |
| logSw: | -2.8242 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.47 |
| InChI Key: | WATQKOQSJRBONO-UHFFFAOYSA-N |