N-cyclopentyl-1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0556 |
| Compound Name: | N-cyclopentyl-1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | COc1cccc(CNC(NCCn2c3ccc(cc3nn2)C(NC2CCCC2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0515 |
| logD: | 2.0515 |
| logSw: | -2.6848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.752 |
| InChI Key: | UIPMRNQGMYTECC-UHFFFAOYSA-N |