3-chloro-7-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-7-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
3-chloro-7-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8503-0156 |
| Compound Name: | 3-chloro-7-nitro-N-{3-[5-(propan-2-yl)-1,3-benzoxazol-2-yl]phenyl}-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 491.95 |
| Molecular Formula: | C25 H18 Cl N3 O4 S |
| Smiles: | CC(C)c1ccc2c(c1)nc(c1cccc(c1)NC(c1c(c3cccc(c3s1)[N+]([O-])=O)[Cl])=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 7.5 |
| logD: | 7.5 |
| logSw: | -6.8089 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.967 |
| InChI Key: | MZYGQOXVHHJAHU-UHFFFAOYSA-N |