N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5785 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 598.68 |
| Molecular Formula: | C29 H34 N4 O8 S |
| Smiles: | COCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc2c(c1)OCO2)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7605 |
| logD: | 2.7605 |
| logSw: | -3.4016 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 117.379 |
| InChI Key: | WSBJMQOXXJAVRT-UHFFFAOYSA-N |