3-(2-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-(2-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
3-(2-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S564-0602 |
| Compound Name: | 3-(2-{4-[(5-cyclopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | C1CN(CCC1Cc1nnc(C2CC2)[nH]1)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8018 |
| logD: | 1.7983 |
| logSw: | -2.3182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.487 |
| InChI Key: | XMYVXODQSNHPPJ-UHFFFAOYSA-N |