methyl 4-chloro-2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
methyl 4-chloro-2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | C794-1038 |
| Compound Name: | methyl 4-chloro-2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | CC(c1c(C)c(C)sc1n1cccc1)NC(Nc1cc(ccc1C(=O)OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0038 |
| logD: | 4.9676 |
| logSw: | -5.0259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.557 |
| InChI Key: | JLVVGESCSCWCBT-ZDUSSCGKSA-N |