N-{3-[butyl(ethyl)amino]propyl}-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
N-{3-[butyl(ethyl)amino]propyl}-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea
Compound characteristics
| Compound ID: | C791-0692 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-N'-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)urea |
| Molecular Weight: | 447.64 |
| Molecular Formula: | C23 H37 N5 O2 S |
| Smiles: | CCCCN(CC)CCCNC(Nc1c(C)c2C(N3CCC(C)CCC3=Nc2s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6784 |
| logD: | 1.1489 |
| logSw: | -3.9416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.801 |
| InChI Key: | IWLYMSSTSHQCAK-MRXNPFEDSA-N |