N-{[1-(4-ethylbenzene-1-sulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{[1-(4-ethylbenzene-1-sulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
N-{[1-(4-ethylbenzene-1-sulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | SD07-0448 |
| Compound Name: | N-{[1-(4-ethylbenzene-1-sulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C23 H31 N5 O5 S |
| Smiles: | CCc1ccc(cc1)S(N1CCC2(C1)Cn1c(CO2)c(CNC(C2CCOCC2)=O)nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5691 |
| logD: | 1.5691 |
| logSw: | -2.6039 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.607 |
| InChI Key: | XTCHPCLFHOXSGD-QHCPKHFHSA-N |