(1,4-dioxa-8-azaspiro[4.5]decan-8-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Chemical Structure Depiction of
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
(1,4-dioxa-8-azaspiro[4.5]decan-8-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone
Compound characteristics
| Compound ID: | K781-2581 |
| Compound Name: | (1,4-dioxa-8-azaspiro[4.5]decan-8-yl){4-[(4-fluorophenyl)sulfanyl]-3-nitrophenyl}methanone |
| Molecular Weight: | 418.44 |
| Molecular Formula: | C20 H19 F N2 O5 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4624 |
| logD: | 3.4624 |
| logSw: | -4.0843 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.133 |
| InChI Key: | PUVMCQCJHXTCMU-UHFFFAOYSA-N |