1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0470 |
| Compound Name: | 1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | CC(C)NC(c1ccc2c(c1)nnn2CCNC(NCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3282 |
| logD: | 1.3282 |
| logSw: | -1.9367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.906 |
| InChI Key: | LNCKDKLKEPFIEO-UHFFFAOYSA-N |