6-{3-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-{3-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
6-{3-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | P218-3858 |
| Compound Name: | 6-{3-[2-(4-ethoxyphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl]piperidine-1-sulfonyl}-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 579.68 |
| Molecular Formula: | C29 H33 N5 O6 S |
| Smiles: | CCOc1ccc(cc1)c1cc2CN(CCCn2n1)C(C1CCCN(C1)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0705 |
| logD: | 3.0705 |
| logSw: | -3.6046 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 92.051 |
| InChI Key: | BUCAKKDYMJGCOP-NRFANRHFSA-N |