1-{2-[(3-chloro-2-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(3-chloro-2-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-{2-[(3-chloro-2-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0443 |
| Compound Name: | 1-{2-[(3-chloro-2-methylphenyl)carbamamido]ethyl}-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 414.89 |
| Molecular Formula: | C20 H23 Cl N6 O2 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(Nc1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7905 |
| logD: | 2.7905 |
| logSw: | -3.6256 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.342 |
| InChI Key: | MXSNHQOSLSNCMS-UHFFFAOYSA-N |