6-amino-2-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]pyrimidin-4-ol
Chemical Structure Depiction of
6-amino-2-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]pyrimidin-4-ol
6-amino-2-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]pyrimidin-4-ol
Compound characteristics
| Compound ID: | 8010-1120 |
| Compound Name: | 6-amino-2-[(2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)sulfanyl]pyrimidin-4-ol |
| Molecular Weight: | 444.43 |
| Molecular Formula: | C17 H19 F3 N6 O3 S |
| Smiles: | C1CN(CCN1CCSc1nc(cc(n1)O)N)c1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.4917 |
| logD: | 2.1268 |
| logSw: | -2.6541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.178 |
| InChI Key: | HAJNGRXCQISHFK-UHFFFAOYSA-N |