8-(4-chloro-3-nitrobenzene-1-sulfonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Chemical Structure Depiction of
8-(4-chloro-3-nitrobenzene-1-sulfonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
8-(4-chloro-3-nitrobenzene-1-sulfonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Compound characteristics
| Compound ID: | V023-2205 |
| Compound Name: | 8-(4-chloro-3-nitrobenzene-1-sulfonyl)-4-(3-methylphenyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C20 H20 Cl N3 O5 S2 |
| Smiles: | Cc1cccc(c1)N1C(CSC12CCN(CC2)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0513 |
| logD: | 4.0513 |
| logSw: | -4.3207 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.711 |
| InChI Key: | VAESANOZPGXSLL-UHFFFAOYSA-N |