Chemical ID: 4492666

CC1=CC(N2c3c1cccc3C4(C2=O)c5c(c6ccccc6[nH]5)CCN4)(C)C
Chemical ID:
4492666
Name [?]:
None
SMILES [?]:
CC1=CC(N2c3c1cccc3C4(C2=O)c5c(c6ccccc6[nH]5)CCN4)(C)C
InChi [?]:
InChI=1/C24H23N3O/c1-14-13-23(2,3)27-20-15(14)8-6-9-18(20)24(22(27)28)21-17(11-12-25-24)16-7-4-5-10-19(16)26-21/h4-10,13,25-26H,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,27,28,19,20,9,18,8,10,21,24,25,3,2,7,17,16,11,22,6,15,13,4,12,26,23,5,14/E:(2,3)/rA:28cCCCCNCCCCCCCCOCCCCCCCCNCCNCC/rB:s1;d2;s3;s4;s5;s2s6;d7;s8;d9;d6s10;s11;s5s12;d13;s12;d15;s16;s17;d18;s19;d20;d17s21;s15s22;s16;s24;s12s25;s4;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.319
Area:535.538
Solvation:-2.06941
Coulombic:-40.5004
Bond Count [?]
All:33
Single:24
Double:9
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:369.459
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.43
LogP (Chemaxon):3.28

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue