N-(5-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(1H-tetrazol-1-yl)propanamide
Chemical Structure Depiction of
N-(5-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(1H-tetrazol-1-yl)propanamide
N-(5-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(1H-tetrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | 8017-6787 |
| Compound Name: | N-(5-{[2-(4-butoxyanilino)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-(1H-tetrazol-1-yl)propanamide |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C18 H22 N8 O3 S2 |
| Smiles: | CCCCOc1ccc(cc1)NC(CSc1nnc(NC(CCn2cnnn2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1099 |
| logD: | 3.1079 |
| logSw: | -3.3576 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.481 |
| InChI Key: | VHMZSPXRBYICCE-UHFFFAOYSA-N |