N-(butan-2-yl)-2-[3-(3,4-dichlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-[3-(3,4-dichlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
N-(butan-2-yl)-2-[3-(3,4-dichlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-9320 |
| Compound Name: | N-(butan-2-yl)-2-[3-(3,4-dichlorophenyl)-5-oxo-1-sulfanylidene-1H-[1,3]thiazolo[3,4-a]quinazolin-4(5H)-yl]acetamide |
| Molecular Weight: | 492.44 |
| Molecular Formula: | C22 H19 Cl2 N3 O2 S2 |
| Smiles: | CCC(C)NC(CN1C2=C(c3ccc(c(c3)[Cl])[Cl])SC(N2c2ccccc2C1=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2874 |
| logD: | 5.2874 |
| logSw: | -5.776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.972 |
| InChI Key: | BHYWLCVZQRZQOU-LBPRGKRZSA-N |