2-(dimethylamino)-7-({4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Chemical Structure Depiction of
2-(dimethylamino)-7-({4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
2-(dimethylamino)-7-({4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
Compound characteristics
| Compound ID: | S039-2977 |
| Compound Name: | 2-(dimethylamino)-7-({4-methoxy-3-[(morpholin-4-yl)methyl]phenyl}methyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one |
| Molecular Weight: | 427.55 |
| Molecular Formula: | C23 H33 N5 O3 |
| Smiles: | CN(C)C1NC(C2CCN(CCC=2N=1)Cc1ccc(c(CN2CCOCC2)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8931 |
| logD: | 0.3342 |
| logSw: | -2.2527 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.423 |
| InChI Key: | DOILANOYEWHIDI-UHFFFAOYSA-N |