4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
Chemical Structure Depiction of
4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine
Compound characteristics
| Compound ID: | V005-3741 |
| Compound Name: | 4-[4-(4-tert-butylbenzene-1-sulfonyl)-1,4-diazepan-1-yl]-6-propyl-3-[3-(trifluoromethyl)phenyl][1,2]oxazolo[5,4-d]pyrimidine |
| Molecular Weight: | 601.69 |
| Molecular Formula: | C30 H34 F3 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCCc1nc(c2c(c3cccc(c3)C(F)(F)F)noc2n1)N1CCCN(CC1)S(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9582 |
| logD: | 7.9577 |
| logSw: | -6.2214 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.136 |
| InChI Key: | LELFRWLDQBOIQF-UHFFFAOYSA-N |