3-methyl-6-[3-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl)piperidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[3-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl)piperidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[3-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl)piperidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | P218-3952 |
| Compound Name: | 3-methyl-6-[3-(2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carbonyl)piperidine-1-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 535.62 |
| Molecular Formula: | C27 H29 N5 O5 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CCCC(C1)C(N1CCCn2c(C1)cc(c1ccccc1)n2)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5965 |
| logD: | 2.5965 |
| logSw: | -3.2255 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.927 |
| InChI Key: | ASYGSWUKSXQVAS-FQEVSTJZSA-N |