6-(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one
6-(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | S517-1471 |
| Compound Name: | 6-(4-{4-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidine-1-sulfonyl)-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 516.62 |
| Molecular Formula: | C24 H32 N6 O5 S |
| Smiles: | CCn1cnnc1CC1CCN(CC1)C(C1CCN(CC1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2805 |
| logD: | 1.2765 |
| logSw: | -2.4787 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.521 |
| InChI Key: | SRBYNEVEBSAALI-UHFFFAOYSA-N |