6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
Chemical Structure Depiction of
6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
Compound characteristics
| Compound ID: | V011-5412 |
| Compound Name: | 6-propyl-4-{4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine |
| Molecular Weight: | 613.58 |
| Molecular Formula: | C27 H25 F6 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)S(c1cccc(c1)C(F)(F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9869 |
| logD: | 6.9864 |
| logSw: | -6.2173 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.136 |
| InChI Key: | HIGFOEYCNAGLLL-UHFFFAOYSA-N |