ethyl 4-({1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
ethyl 4-({1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | C857-1839 |
| Compound Name: | ethyl 4-({1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carbonyl}amino)benzoate |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | CCOC(c1ccc(cc1)NC(C1CCN(CC1)c1nnc(n2c(C)ccc2C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9616 |
| logD: | 3.9612 |
| logSw: | -3.8352 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.559 |
| InChI Key: | VTSAFRCTLSWDKY-UHFFFAOYSA-N |