N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8012-7365 |
| Compound Name: | N-{[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]carbamothioyl}thiophene-2-carboxamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | Cc1cc(c(cc1NC(NC(c1cccs1)=O)=S)N1CCCC1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1519 |
| logD: | 4.1451 |
| logSw: | -4.2518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.158 |
| InChI Key: | LTAIWDBEMFJEDY-UHFFFAOYSA-N |