methyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
Chemical Structure Depiction of
methyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
methyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate
Compound characteristics
| Compound ID: | C794-0986 |
| Compound Name: | methyl 2-({1-[4,5-dimethyl-2-(1H-pyrrol-1-yl)thiophen-3-yl]ethyl}carbamamido)benzoate |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CC(c1c(C)c(C)sc1n1cccc1)NC(Nc1ccccc1C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.509 |
| logD: | 4.5085 |
| logSw: | -4.3625 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.557 |
| InChI Key: | UCNXNKVGEZLNJQ-AWEZNQCLSA-N |