5-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-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: | E135-0982 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 435.45 |
| Molecular Formula: | C19 H21 N3 O7 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.081 |
| logD: | 1.081 |
| logSw: | -2.335 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.428 |
| InChI Key: | HZONODIEZSKHIJ-UHFFFAOYSA-N |