2,4-diamino-5-(3-bromophenyl)-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Chemical Structure Depiction of
2,4-diamino-5-(3-bromophenyl)-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
2,4-diamino-5-(3-bromophenyl)-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8018-7735 |
| Compound Name: | 2,4-diamino-5-(3-bromophenyl)-10-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-8,8-dimethyl-6-oxo-5,6,7,8,9,10-hexahydrobenzo[b][1,8]naphthyridine-3-carbonitrile |
| Molecular Weight: | 599.55 |
| Molecular Formula: | C30 H27 Br N6 O S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Br])c3c(c(C#N)c(N)nc3N2c2c(C#N)c3CCCCc3s2)N)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9668 |
| logD: | 5.9667 |
| logSw: | -5.4644 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 99.336 |
| InChI Key: | NBOVQRYJFSMMOR-HSZRJFAPSA-N |