N-cyclopropyl-3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V030-0401 |
| Compound Name: | N-cyclopropyl-3-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | C=CCn1c(c2ccco2)nnc1SCc1cccc(c1)C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0497 |
| logD: | 3.0497 |
| logSw: | -3.4477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.267 |
| InChI Key: | UCMAVNDAZUDPAE-UHFFFAOYSA-N |