5-(3,4-dimethoxyphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
5-(3,4-dimethoxyphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(3,4-dimethoxyphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0823 |
| Compound Name: | 5-(3,4-dimethoxyphenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C20 H25 N3 O7 S |
| Smiles: | CN1C(=CC(c2ccc(c(c2)OC)OC)=NS1(=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7828 |
| logD: | 0.7828 |
| logSw: | -2.2248 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.573 |
| InChI Key: | ONIVTNPBEGAJSH-UHFFFAOYSA-N |