N-(butan-2-yl)-4-(2-methylbenzoyl)-8-(3-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-(2-methylbenzoyl)-8-(3-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
N-(butan-2-yl)-4-(2-methylbenzoyl)-8-(3-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
Compound characteristics
| Compound ID: | V004-6022 |
| Compound Name: | N-(butan-2-yl)-4-(2-methylbenzoyl)-8-(3-nitrobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide |
| Molecular Weight: | 508.57 |
| Molecular Formula: | C27 H32 N4 O6 |
| Smiles: | CCC(C)NC(C1COC2(CCN(CC2)C(c2cccc(c2)[N+]([O-])=O)=O)N1C(c1ccccc1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8687 |
| logD: | 2.8687 |
| logSw: | -3.5045 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.09 |
| InChI Key: | XHIBPQZBJHBFDI-UHFFFAOYSA-N |