6-chloro-3-(2-{2-[2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-chloro-3-(2-{2-[2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
6-chloro-3-(2-{2-[2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SD73-0289 |
| Compound Name: | 6-chloro-3-(2-{2-[2-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}-2-oxoethyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 415.88 |
| Molecular Formula: | C20 H22 Cl N5 O3 |
| Smiles: | C1CC(CCc2nncn2C2CC2)N(C1)C(CN1C(=O)Oc2cc(ccc12)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2851 |
| logD: | 2.285 |
| logSw: | -3.2285 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.156 |
| InChI Key: | IJCPHWVRFJLLDO-CQSZACIVSA-N |