methyl 2-{[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4-chlorobenzoate
Chemical Structure Depiction of
methyl 2-{[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4-chlorobenzoate
methyl 2-{[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4-chlorobenzoate
Compound characteristics
| Compound ID: | E002-1416 |
| Compound Name: | methyl 2-{[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]carbamamido}-4-chlorobenzoate |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C17 H20 Cl N5 O3 S |
| Smiles: | COC(c1ccc(cc1NC(Nc1nnc(N2CCCCCC2)s1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5052 |
| logD: | 4.4026 |
| logSw: | -4.6862 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.161 |
| InChI Key: | GMPBTTYDAOQUTP-UHFFFAOYSA-N |