N-[(4-butyl-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(4-butyl-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
N-[(4-butyl-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C592-1995 |
| Compound Name: | N-[(4-butyl-5-{[2-(3-methylanilino)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C24 H29 N5 O3 S |
| Smiles: | CCCCn1c(CNC(c2ccc(cc2)OC)=O)nnc1SCC(Nc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8536 |
| logD: | 3.8536 |
| logSw: | -3.8095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.573 |
| InChI Key: | IPJBBLGYDIIBQK-UHFFFAOYSA-N |