4-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
4-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide
Compound characteristics
| Compound ID: | F341-1016 |
| Compound Name: | 4-chloro-N-{N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]carbamimidoyl}benzamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C25 H28 Cl N5 O3 |
| Smiles: | CCn1c(C)c(CCN/C(NC(c2ccc(cc2)[Cl])=O)=N/c2ccc3c(c2)OCCO3)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.1187 |
| logD: | 2.5538 |
| logSw: | -3.6506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.794 |
| InChI Key: | XHLHTLCDFHGSSN-UHFFFAOYSA-N |