methyl 4-[(4-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
methyl 4-[(4-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | L077-0036 |
| Compound Name: | methyl 4-[(4-{5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl}piperidine-1-carbonyl)amino]benzoate |
| Molecular Weight: | 495.56 |
| Molecular Formula: | C24 H25 N5 O5 S |
| Smiles: | COC(c1ccc(cc1)NC(N1CCC(CC1)c1nnc(C(Nc2ccc(cc2)OC)=O)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5476 |
| logD: | 3.5475 |
| logSw: | -3.6068 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.749 |
| InChI Key: | DREFOLRYKOLGKX-UHFFFAOYSA-N |