1-{2-[(4-ethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(4-ethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(4-ethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0418 |
| Compound Name: | 1-{2-[(4-ethylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | CCc1ccc(cc1)NC(NCCn1c2ccc(cc2nn1)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9129 |
| logD: | 2.9129 |
| logSw: | -3.4367 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.04 |
| InChI Key: | IICRCZCELOYVPY-UHFFFAOYSA-N |