4-methoxy-2-phenyl-N-{3-[(propan-2-yl)sulfanyl]propyl}-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Chemical Structure Depiction of
4-methoxy-2-phenyl-N-{3-[(propan-2-yl)sulfanyl]propyl}-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
4-methoxy-2-phenyl-N-{3-[(propan-2-yl)sulfanyl]propyl}-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | SD54-0318 |
| Compound Name: | 4-methoxy-2-phenyl-N-{3-[(propan-2-yl)sulfanyl]propyl}-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-7-carboxamide |
| Molecular Weight: | 413.58 |
| Molecular Formula: | C23 H31 N3 O2 S |
| Smiles: | CC(C)SCCCNC(C1CCc2c(CC1)nc(c1ccccc1)nc2OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8142 |
| logD: | 4.8142 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.118 |
| InChI Key: | MLLUDLSFKIFJJN-SFHVURJKSA-N |