3-[(4-bromophenyl)methyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[(4-bromophenyl)methyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
3-[(4-bromophenyl)methyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F081-0953 |
| Compound Name: | 3-[(4-bromophenyl)methyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C21 H18 Br N3 O2 S |
| Smiles: | CC1(C)Cc2c(CO1)cc1c3c(C(N(Cc4ccc(cc4)[Br])C=N3)=O)sc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.4563 |
| logD: | 4.4562 |
| logSw: | -4.5214 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.926 |
| InChI Key: | AWVZCKPQXHEOAU-UHFFFAOYSA-N |