4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Chemical Structure Depiction of
4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide
Compound characteristics
| Compound ID: | V016-7532 |
| Compound Name: | 4-(3-cyclohexyl[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N-(prop-2-en-1-yl)-1,4-diazepane-1-carboxamide |
| Molecular Weight: | 433.56 |
| Molecular Formula: | C24 H31 N7 O |
| Salt: | not_available |
| Smiles: | C=CCNC(N1CCCN(CC1)c1nc2ccccc2c2nnc(C3CCCCC3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7994 |
| logD: | 3.7494 |
| logSw: | -3.9522 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.228 |
| InChI Key: | QHEFBLWZPMAZNC-UHFFFAOYSA-N |