N-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide
N-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | F081-1064 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-yl)sulfanyl]propanamide |
| Molecular Weight: | 499.05 |
| Molecular Formula: | C24 H23 Cl N4 O2 S2 |
| Smiles: | CC(C(Nc1ccc(C)c(c1)[Cl])=O)Sc1c2c(c3cc4COC(C)(C)Cc4nc3s2)ncn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5164 |
| logD: | 6.5152 |
| logSw: | -6.2735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.595 |
| InChI Key: | VFFBDKNEXKRUOV-ZDUSSCGKSA-N |