ethyl 4-[(5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carbonyl)amino]benzoate
ethyl 4-[(5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | F499-1238 |
| Compound Name: | ethyl 4-[(5-{[(2-{[(4-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carbonyl)amino]benzoate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C23 H24 N4 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(c1nnc(CSCC(NCc2ccc(cc2)OC)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8174 |
| logD: | 3.8153 |
| logSw: | -4.0021 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.826 |
| InChI Key: | IEPRTXKCBBLQJC-UHFFFAOYSA-N |