methyl 4-[N-(cyclohexylmethyl)-N-(thiophene-2-carbonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(cyclohexylmethyl)-N-(thiophene-2-carbonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(cyclohexylmethyl)-N-(thiophene-2-carbonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4532 |
| Compound Name: | methyl 4-[N-(cyclohexylmethyl)-N-(thiophene-2-carbonyl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 430.57 |
| Molecular Formula: | C23 H30 N2 O4 S |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC1CCCCC1)C(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8634 |
| logD: | 4.8634 |
| logSw: | -4.6647 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.646 |
| InChI Key: | MXERQMHJJMRTCU-INIZCTEOSA-N |