N-cyclopentyl-1-{2-[(2,4-difluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{2-[(2,4-difluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-{2-[(2,4-difluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0557 |
| Compound Name: | N-cyclopentyl-1-{2-[(2,4-difluorophenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 428.44 |
| Molecular Formula: | C21 H22 F2 N6 O2 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc(cc1F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6224 |
| logD: | 2.6212 |
| logSw: | -3.1062 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.188 |
| InChI Key: | KSOHWVNSMPZJCT-UHFFFAOYSA-N |