4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-N-(prop-2-en-1-yl)benzamide
Chemical Structure Depiction of
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-N-(prop-2-en-1-yl)benzamide
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-N-(prop-2-en-1-yl)benzamide
Compound characteristics
| Compound ID: | K781-4032 |
| Compound Name: | 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-nitro-N-(prop-2-en-1-yl)benzamide |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C17 H21 N3 O5 |
| Smiles: | C=CCNC(c1ccc(c(c1)[N+]([O-])=O)N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3604 |
| logD: | 1.3603 |
| logSw: | -2.3277 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.434 |
| InChI Key: | MBSHFPLABPDJSC-UHFFFAOYSA-N |