N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0684 |
| Compound Name: | N-[3-(3-chloro-4-fluoroanilino)-3-oxopropyl]-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 403.84 |
| Molecular Formula: | C19 H19 Cl F N5 O2 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7051 |
| logD: | 2.6872 |
| logSw: | -3.6755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.319 |
| InChI Key: | BKWWSIBXDAQSOX-UHFFFAOYSA-N |