N,N-diethyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N,N-diethyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
N,N-diethyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0376 |
| Compound Name: | N,N-diethyl-1-{2-[(3-fluoro-4-methylphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C21 H25 F N6 O2 |
| Smiles: | CCN(CC)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc(C)c(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4597 |
| logD: | 2.4597 |
| logSw: | -2.9234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.313 |
| InChI Key: | IHJWESPQOASGEM-UHFFFAOYSA-N |