{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Chemical Structure Depiction of
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
{4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Compound characteristics
| Compound ID: | K781-2206 |
| Compound Name: | {4-[(3-chlorophenyl)sulfanyl]-3-nitrophenyl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C20 H19 Cl N2 O5 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(c(c1)[N+]([O-])=O)Sc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8572 |
| logD: | 3.8572 |
| logSw: | -4.3615 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.133 |
| InChI Key: | LISWWSHVMKJBFO-UHFFFAOYSA-N |