N~2~-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N~1~,N~1~-dimethylethane-1,2-diamine
Chemical Structure Depiction of
N~2~-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N~1~,N~1~-dimethylethane-1,2-diamine
N~2~-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N~1~,N~1~-dimethylethane-1,2-diamine
Compound characteristics
| Compound ID: | 8640-0592 |
| Compound Name: | N~2~-(5-butyl-2,2-dimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)-N~1~,N~1~-dimethylethane-1,2-diamine |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C22 H31 N5 O S |
| Smiles: | CCCCc1c2COC(C)(C)Cc2c2c3c(c(NCCN(C)C)ncn3)sc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2833 |
| logD: | 3.5937 |
| logSw: | -5.163 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.991 |
| InChI Key: | GOAYZXJUIKVVKD-UHFFFAOYSA-N |