N-(4-methylphenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0315 |
| Compound Name: | N-(4-methylphenyl)-5-{[(2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.64 |
| Molecular Formula: | C21 H30 N6 O2 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CSCC(NCCCN2CCN(C)CC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.607 |
| logD: | 0.4025 |
| logSw: | -2.3566 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | ILUFSAZVNCSYIN-UHFFFAOYSA-N |