6-{4-[2-(4-fluorophenyl)-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-{4-[2-(4-fluorophenyl)-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-{4-[2-(4-fluorophenyl)-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: | P218-3762 |
| Compound Name: | 6-{4-[2-(4-fluorophenyl)-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: | 553.61 |
| Molecular Formula: | C27 H28 F N5 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCC(CC1)C(N1CCCn2c(C1)cc(c1ccc(cc1)F)n2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8683 |
| logD: | 2.8683 |
| logSw: | -3.4666 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.994 |
| InChI Key: | TYMQWWULSCZEJJ-UHFFFAOYSA-N |