N-cyclopentyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0560 |
| Compound Name: | N-cyclopentyl-1-(2-{[(4-fluorophenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C22 H25 F N6 O2 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9833 |
| logD: | 1.9833 |
| logSw: | -2.5844 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.208 |
| InChI Key: | IMERFDLETLGUOJ-UHFFFAOYSA-N |