N-cyclopentyl-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0553 |
| Compound Name: | N-cyclopentyl-1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 450.5 |
| Molecular Formula: | C23 H26 N6 O4 |
| Smiles: | C1CCC(C1)NC(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6781 |
| logD: | 1.6781 |
| logSw: | -2.3 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.709 |
| InChI Key: | PRGBSNNRXRYWCT-UHFFFAOYSA-N |