4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0296 |
| Compound Name: | 4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CNC2=C(C(C2=O)=O)N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9563 |
| logD: | 2.9559 |
| logSw: | -3.22 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.374 |
| InChI Key: | PHAMISMAJGZMGO-UHFFFAOYSA-N |