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Chemical ID: 5760363
Chemical ID:
5760363
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CCN2C(=O)c5ccccc5
InChi [?]:
InChI=1/C24H20N2O/c27-24(18-11-5-2-6-12-18)26-16-15-20-19-13-7-8-14-21(19)25-22(20)23(26)17-9-3-1-4-10-17/h1-14,23,25H,15-16H2
InChi Info:
AuxInfo=1/0/N:1,25,2,6,24,26,12,13,3,5,23,27,11,14,17,18,4,22,10,9,15,8,7,20,16,19,21/E:(3,4)(5,6)(9,10)(11,12)/rA:27cCCCCCCCCCCCCCCCNCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;s9;s17;s7s18;s19;d20;s20;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7406 |
Area: | 535.169 |
Solvation: | -2.63864 |
Coulombic: | -32.1316 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 352.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.78 |
LogP (Chemaxon): | 4.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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