N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N'-propylurea
Chemical Structure Depiction of
N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N'-propylurea
N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N'-propylurea
Compound characteristics
| Compound ID: | SD07-0585 |
| Compound Name: | N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N'-propylurea |
| Molecular Weight: | 434.44 |
| Molecular Formula: | C20 H24 F2 N6 O3 |
| Smiles: | CCCNC(NCc1c2COC3(CCN(C3)C(c3cc(ccc3F)F)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9983 |
| logD: | 0.9983 |
| logSw: | -2.4262 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.09 |
| InChI Key: | IRLUMXRUPICMGG-FQEVSTJZSA-N |