methyl 3-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
methyl 3-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | C800-0873 |
| Compound Name: | methyl 3-[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamamido]thiophene-2-carboxylate |
| Molecular Weight: | 403.89 |
| Molecular Formula: | C19 H18 Cl N3 O3 S |
| Smiles: | COC(c1c(ccs1)NC(NCc1cccn1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8234 |
| logD: | 3.8211 |
| logSw: | -4.4911 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.428 |
| InChI Key: | SYZQQRHYBJTYBC-UHFFFAOYSA-N |