N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[3-(morpholin-4-yl)propyl]urea
Chemical Structure Depiction of
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[3-(morpholin-4-yl)propyl]urea
N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[3-(morpholin-4-yl)propyl]urea
Compound characteristics
| Compound ID: | C791-0679 |
| Compound Name: | N-(3,8-dimethyl-4-oxo-4,6,7,8,9,10-hexahydrothieno[2',3':4,5]pyrimido[1,2-a]azepin-2-yl)-N'-[3-(morpholin-4-yl)propyl]urea |
| Molecular Weight: | 433.57 |
| Molecular Formula: | C21 H31 N5 O3 S |
| Smiles: | CC1CCC2=Nc3c(C(N2CC1)=O)c(C)c(NC(NCCCN1CCOCC1)=O)s3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7144 |
| logD: | 1.4148 |
| logSw: | -2.4589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.756 |
| InChI Key: | OVTVJQRGPAZMHO-CQSZACIVSA-N |