4-{2-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
4-{2-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | SD74-0280 |
| Compound Name: | 4-{2-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | C1CC2(C1)CN(CC2c1nncn1C1CC1)C(CN1C(COc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8253 |
| logD: | 0.8252 |
| logSw: | -1.6087 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.653 |
| InChI Key: | LIROGFFSAWCQBF-INIZCTEOSA-N |