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Chemical ID: 6850699
Chemical ID:
6850699
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)CN3c4ccccc4C(=O)NC3C2Cc5ccccc5O
InChi [?]:
InChI=1/C23H20N2O2/c26-21-12-6-2-7-15(21)13-19-17-9-3-1-8-16(17)14-25-20-11-5-4-10-18(20)23(27)24-22(19)25/h1-12,19,22,26H,13-14H2,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,23,2,12,11,24,22,6,3,13,10,25,20,7,21,5,4,14,19,9,26,18,15,17,8,27,16/rA:27cCCCCCCCNCCCCCCCONCCCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;s15;s8s17;s4s18;s19;s20;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H20N2O2 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 8.86145 |
Area: | 475.722 |
Solvation: | -3.03159 |
Coulombic: | -47.1165 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 356.417 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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