2-[(1,3-benzoxazol-2-yl)amino]-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)amino]-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
2-[(1,3-benzoxazol-2-yl)amino]-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one
Compound characteristics
| Compound ID: | Y020-7519 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)amino]-7,7-dimethyl-4-(pyridin-3-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | CC1(C)CC2=C(C(c3cccnc3)N=C(N2)Nc2nc3ccccc3o2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5666 |
| logD: | 2.1935 |
| logSw: | -3.3415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.607 |
| InChI Key: | XCJQXNCJKYYAPY-IBGZPJMESA-N |