2-[4-(2-nitrophenyl)piperazin-1-yl]-5-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1,3-thiazol-4(5H)-one
Chemical Structure Depiction of
2-[4-(2-nitrophenyl)piperazin-1-yl]-5-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1,3-thiazol-4(5H)-one
2-[4-(2-nitrophenyl)piperazin-1-yl]-5-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1,3-thiazol-4(5H)-one
Compound characteristics
| Compound ID: | 8013-0303 |
| Compound Name: | 2-[4-(2-nitrophenyl)piperazin-1-yl]-5-({4-[(propan-2-yl)oxy]phenyl}methylidene)-1,3-thiazol-4(5H)-one |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | CC(C)Oc1ccc(\C=C2/C(N=C(N3CCN(CC3)c3ccccc3[N+]([O-])=O)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5192 |
| logD: | 4.5192 |
| logSw: | -4.2471 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.438 |
| InChI Key: | IJXNXRXZUZXVST-UHFFFAOYSA-N |