N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0553 |
| Compound Name: | N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]-1-ethyl-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 389.81 |
| Molecular Formula: | C18 H17 Cl F N5 O2 |
| Smiles: | CCn1c2ccc(cc2nn1)C(N(C)CC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2741 |
| logD: | 2.2656 |
| logSw: | -3.5199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.961 |
| InChI Key: | CZEHETSVHJZCBE-UHFFFAOYSA-N |