6-(azepane-1-sulfonyl)-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0752 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C23 H31 N3 O7 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCC3(CC1)OCCO3)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0615 |
| logD: | 1.0615 |
| logSw: | -2.5034 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.939 |
| InChI Key: | KELDQFBEEYROEQ-UHFFFAOYSA-N |