N-[2-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2776 |
| Compound Name: | N-[2-chloro-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-5-methoxyphenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C21 H25 Cl N2 O6 S |
| Smiles: | CC1=C(C(Nc2cc(c(cc2[Cl])C(N2CCC3(CC2)OCCO3)=O)OC)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.0124 |
| logD: | -0.8681 |
| logSw: | -3.2003 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.618 |
| InChI Key: | HUBGXNSVSQISFJ-UHFFFAOYSA-N |