8-(4-methyl-3-nitrobenzoyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Chemical Structure Depiction of
8-(4-methyl-3-nitrobenzoyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
8-(4-methyl-3-nitrobenzoyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Compound characteristics
| Compound ID: | V009-0450 |
| Compound Name: | 8-(4-methyl-3-nitrobenzoyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Molecular Weight: | 425.51 |
| Molecular Formula: | C22 H23 N3 O4 S |
| Smiles: | Cc1cccc(c1)N1C(CSC12CCN(CC2)C(c1ccc(C)c(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.341 |
| logD: | 3.341 |
| logSw: | -3.7028 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.648 |
| InChI Key: | DPXMMDDWCCOCLF-UHFFFAOYSA-N |