[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](4-chloro-3-nitrophenyl)methanone
Chemical Structure Depiction of
[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](4-chloro-3-nitrophenyl)methanone
[3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](4-chloro-3-nitrophenyl)methanone
Compound characteristics
| Compound ID: | C250-0715 |
| Compound Name: | [3-(4-bromophenyl)-2-sulfanylidene-1,4-diazaspiro[4.6]undec-3-en-1-yl](4-chloro-3-nitrophenyl)methanone |
| Molecular Weight: | 520.83 |
| Molecular Formula: | C22 H19 Br Cl N3 O3 S |
| Smiles: | C1CCCC2(CC1)N=C(C(N2C(c1ccc(c(c1)[N+]([O-])=O)[Cl])=O)=S)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7709 |
| logD: | 5.7709 |
| logSw: | -6.1098 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.217 |
| InChI Key: | DQCJCEQANNYGOG-UHFFFAOYSA-N |