3-chloro-6-nitro-N,N-di(propan-2-yl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-6-nitro-N,N-di(propan-2-yl)-1-benzothiophene-2-carboxamide
3-chloro-6-nitro-N,N-di(propan-2-yl)-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y203-5106 |
| Compound Name: | 3-chloro-6-nitro-N,N-di(propan-2-yl)-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 340.83 |
| Molecular Formula: | C15 H17 Cl N2 O3 S |
| Smiles: | CC(C)N(C(C)C)C(c1c(c2ccc(cc2s1)[N+]([O-])=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5018 |
| logD: | 4.5018 |
| logSw: | -4.8112 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.445 |
| InChI Key: | WSYWTUBOWGOMKG-UHFFFAOYSA-N |