methyl 4-chloro-2-({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamamido)benzoate
methyl 4-chloro-2-({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | L585-0628 |
| Compound Name: | methyl 4-chloro-2-({[2-(thiomorpholin-4-yl)pyridin-4-yl]methyl}carbamamido)benzoate |
| Molecular Weight: | 420.92 |
| Molecular Formula: | C19 H21 Cl N4 O3 S |
| Smiles: | COC(c1ccc(cc1NC(NCc1ccnc(c1)N1CCSCC1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0966 |
| logD: | 2.9509 |
| logSw: | -3.5015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.303 |
| InChI Key: | RSYOFKRUAYADRG-UHFFFAOYSA-N |