2-(azepan-1-yl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Chemical Structure Depiction of
2-(azepan-1-yl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
2-(azepan-1-yl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Compound characteristics
| Compound ID: | F149-0566 |
| Compound Name: | 2-(azepan-1-yl)-5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C19 H25 N5 O4 S |
| Smiles: | C1CCCN(CC1)C1=NN2C(=CC(N=C2S1)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3935 |
| logD: | -0.0307 |
| logSw: | -1.6987 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.429 |
| InChI Key: | FULVCSZDPNYOCZ-UHFFFAOYSA-N |