6-chloro-6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl acetate
Chemical Structure Depiction of
6-chloro-6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl acetate
6-chloro-6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl acetate
Compound characteristics
| Compound ID: | 8009-9554 |
| Compound Name: | 6-chloro-6',6'-dimethyl-2-phenyl-2'-sulfanylidene-2,3-dihydrospiro[[1]benzopyran-4,4'-[1,3]diazinan]-7-yl acetate |
| Molecular Weight: | 430.95 |
| Molecular Formula: | C22 H23 Cl N2 O3 S |
| Smiles: | CC(=O)Oc1cc2c(cc1[Cl])C1(CC(c3ccccc3)O2)CC(C)(C)NC(N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9236 |
| logD: | 4.9236 |
| logSw: | -5.0218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.778 |
| InChI Key: | KBGCHKOUMZJVDC-UHFFFAOYSA-N |