N-(4-bromophenyl)-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]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-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]acetamide
N-(4-bromophenyl)-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]acetamide
Compound characteristics
| Compound ID: | F081-0861 |
| Compound Name: | N-(4-bromophenyl)-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]acetamide |
| Molecular Weight: | 515.45 |
| Molecular Formula: | C22 H19 Br N4 O2 S2 |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(c(ncn3)SCC(Nc3ccc(cc3)[Br])=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 5.4994 |
| logD: | 5.4947 |
| logSw: | -5.5219 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.382 |
| InChI Key: | NRUBNPAKBSYEGE-UHFFFAOYSA-N |