Chemical ID: 6850699

c1ccc2c(c1)CN3c4ccccc4C(=O)NC3C2Cc5ccccc5O
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

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