4-(2-{8-[4-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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-(cyclopropylmethyl)-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: | SD74-1229 |
| Compound Name: | 4-(2-{8-[4-(cyclopropylmethyl)-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: | 421.5 |
| Molecular Formula: | C23 H27 N5 O3 |
| Smiles: | C1CC2(C1)CN(CC2c1nncn1CC1CC1)C(CN1C(COc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9714 |
| logD: | 0.9714 |
| logSw: | -1.87 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.553 |
| InChI Key: | XQRCUBMEEGOLQC-KRWDZBQOSA-N |