N-{2-[bis(2-methylpropyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide
Compound characteristics
| Compound ID: | E003-0232 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-1'-methyl-9'-oxo-8',9'-dihydrospiro[cyclohexane-1,7'-furo[3,2-f][1]benzopyran]-2'-carboxamide |
| Molecular Weight: | 468.64 |
| Molecular Formula: | C28 H40 N2 O4 |
| Smiles: | CC(C)CN(CCNC(c1c(C)c2c3C(CC4(CCCCC4)Oc3ccc2o1)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.5023 |
| logD: | 4.0132 |
| logSw: | -5.5888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.236 |
| InChI Key: | OXUFROYRWDGLAV-UHFFFAOYSA-N |