1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1H-benzotriazole-5-carboxamide
1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0451 |
| Compound Name: | 1-ethyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 355.37 |
| Molecular Formula: | C18 H18 F N5 O2 |
| Smiles: | CCn1c2ccc(cc2nn1)C(N(C)CC(Nc1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6974 |
| logD: | 1.6972 |
| logSw: | -2.393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.961 |
| InChI Key: | VTHASKPRZXOJJI-UHFFFAOYSA-N |