3-{3-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{3-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
3-{3-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SD74-0853 |
| Compound Name: | 3-{3-[8-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | C1CC2(C1)CN(CC2c1nncn1C1CC1)C(CCN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5561 |
| logD: | 1.556 |
| logSw: | -2.0509 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.63 |
| InChI Key: | KUEJNYBWWSRJAI-INIZCTEOSA-N |