2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Chemical Structure Depiction of
2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one
Compound characteristics
| Compound ID: | L958-1099 |
| Compound Name: | 2-{2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-1H-pyrrol-1-yl}-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethan-1-one |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | C1CN(CCC12OCCO2)C(Cn1cccc1c1nc(cs1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2458 |
| logD: | 4.2458 |
| logSw: | -4.6539 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.12 |
| InChI Key: | JBDCEXKHTXSXQX-UHFFFAOYSA-N |