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Chemical ID: 7199976
Chemical ID:
7199976
Name [?]:
4-dimethylamino-N-(9-ethylcarbazol-3-yl)-benzamide
SMILES [?]:
CCn1c2ccccc2c3c1ccc(c3)NC(=O)c4ccc(cc4)N(C)C
InChi [?]:
InChI=1/C23H23N3O/c1-4-26-21-8-6-5-7-19(21)20-15-17(11-14-22(20)26)24-23(27)16-9-12-18(13-10-16)25(2)3/h5-15H,4H2,1-3H3,(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,26,27,2,7,6,8,5,20,24,13,21,23,12,15,19,14,22,9,10,4,11,17,16,25,3,18/E:(2,3)(9,10)(12,13)/rA:27nCCNCCCCCCCCCCCCNCOCCCCCCNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N3O |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7776 |
Area: | 585.617 |
Solvation: | -2.86285 |
Coulombic: | -35.1994 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.448 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.44 |
LogP (Chemaxon): | 5.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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