N-(3-fluorophenyl)-5-{[(2-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-{[(2-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-{[(2-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-1006 |
| Compound Name: | N-(3-fluorophenyl)-5-{[(2-{[2-(5-methyl-1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C23 H22 F N5 O2 S2 |
| Smiles: | Cc1ccc2c(c1)c(CCNC(CSCc1nnc(C(Nc3cccc(c3)F)=O)s1)=O)c[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.9615 |
| logD: | 3.9583 |
| logSw: | -4.0374 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.241 |
| InChI Key: | PKABZBPYGZICQH-UHFFFAOYSA-N |