4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0599 |
| Compound Name: | 4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C21 H27 N3 O7 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCC3(CC1)OCCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2351 |
| logD: | 0.2351 |
| logSw: | -2.2884 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.975 |
| InChI Key: | LGFATPUGBYYMPM-UHFFFAOYSA-N |