6-bromo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4H-1-benzothiopyran-4-one
Chemical Structure Depiction of
6-bromo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4H-1-benzothiopyran-4-one
6-bromo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4H-1-benzothiopyran-4-one
Compound characteristics
| Compound ID: | G617-0317 |
| Compound Name: | 6-bromo-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4H-1-benzothiopyran-4-one |
| Molecular Weight: | 382.27 |
| Molecular Formula: | C16 H16 Br N O3 S |
| Smiles: | C1CN(CCC12OCCO2)C1=CSc2ccc(cc2C1=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4014 |
| logD: | 3.3956 |
| logSw: | -3.8047 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.9216 |
| InChI Key: | YXZKBGOYMNYNDU-UHFFFAOYSA-N |