N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | F385-0091 |
| Compound Name: | N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]-N,1-dimethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 371.82 |
| Molecular Formula: | C18 H18 Cl N5 O2 |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN(C)C(c1ccc2c(c1)nnn2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5723 |
| logD: | 2.5721 |
| logSw: | -3.4355 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.522 |
| InChI Key: | XHVIYJPTJSHRTD-UHFFFAOYSA-N |