N-cyclopropyl-2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-cyclopropyl-2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-cyclopropyl-2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-5029 |
| Compound Name: | N-cyclopropyl-2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 356.49 |
| Molecular Formula: | C19 H24 N4 O S |
| Smiles: | CC(C)c1nnc(n1CC=C)SCc1ccccc1C(NC1CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7857 |
| logD: | 3.7857 |
| logSw: | -3.8589 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.96 |
| InChI Key: | FNDSSKFVAOGITP-UHFFFAOYSA-N |