N-cyclopentyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0543 |
| Compound Name: | N-cyclopentyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C22 H25 F N6 O2 |
| Smiles: | Cc1ccc(cc1F)NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3553 |
| logD: | 3.3553 |
| logSw: | -3.4577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.886 |
| InChI Key: | VXGPQRWTAZTNCV-UHFFFAOYSA-N |