N-[(2,5-dimethylphenyl)methyl]-1-[3-(4-methylanilino)-3-oxopropyl]-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethylphenyl)methyl]-1-[3-(4-methylanilino)-3-oxopropyl]-1H-benzotriazole-5-carboxamide
N-[(2,5-dimethylphenyl)methyl]-1-[3-(4-methylanilino)-3-oxopropyl]-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | M281-4913 |
| Compound Name: | N-[(2,5-dimethylphenyl)methyl]-1-[3-(4-methylanilino)-3-oxopropyl]-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C26 H27 N5 O2 |
| Smiles: | Cc1ccc(cc1)NC(CCn1c2ccc(cc2nn1)C(NCc1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5493 |
| logD: | 4.5492 |
| logSw: | -4.2022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.205 |
| InChI Key: | PVDRYZRLFVURKC-UHFFFAOYSA-N |