5-chloro-3-{[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
5-chloro-3-{[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
5-chloro-3-{[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | L914-0933 |
| Compound Name: | 5-chloro-3-{[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,2,4-oxadiazol-3-yl]methyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 420.81 |
| Molecular Formula: | C18 H17 Cl N4 O6 |
| Smiles: | C1CN(CCC12OCCO2)C(c1nc(CN2C(=O)Oc3ccc(cc23)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3879 |
| logD: | 1.3879 |
| logSw: | -2.5953 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.092 |
| InChI Key: | YVVIWHGEFZEQPU-UHFFFAOYSA-N |