N-(4-methylphenyl)-5-(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-1335 |
| Compound Name: | N-(4-methylphenyl)-5-(3-{[3-(4-methylpiperazin-1-yl)propyl]amino}-3-oxopropyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C21 H30 N6 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCC(NCCCN2CCN(C)CC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9908 |
| logD: | -0.2138 |
| logSw: | -2.1707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.829 |
| InChI Key: | YPBCUXKARLRNFO-UHFFFAOYSA-N |