4-(4-chlorophenyl)-8-(4-methyl-3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Chemical Structure Depiction of
4-(4-chlorophenyl)-8-(4-methyl-3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
4-(4-chlorophenyl)-8-(4-methyl-3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one
Compound characteristics
| Compound ID: | V008-7637 |
| Compound Name: | 4-(4-chlorophenyl)-8-(4-methyl-3-nitrobenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C21 H20 Cl N3 O4 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)C(N1CCC2(CC1)N(C(CS2)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4373 |
| logD: | 3.4373 |
| logSw: | -4.0018 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.648 |
| InChI Key: | ZBYQEGHVIUCNOV-UHFFFAOYSA-N |