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Chemical ID: 5976308
Chemical ID:
5976308
Name [?]:
N-[4-dimethylamino-3-(1-phenylethylcarbamoyl)phenyl]naphthalene-2-carboxamide
SMILES [?]:
CC(c1ccccc1)NC(=O)c2cc(ccc2N(C)C)NC(=O)c3ccc4ccccc4c3
InChi [?]:
InChI=1/C28H27N3O2/c1-19(20-9-5-4-6-10-20)29-28(33)25-18-24(15-16-26(25)31(2)3)30-27(32)23-14-13-21-11-7-8-12-22(21)17-23/h4-19H,1-3H3,(H,29,33)(H,30,32)
InChi Info:
AuxInfo=1/1/N:1,19,20,6,5,7,29,30,4,8,28,31,26,25,15,16,33,13,2,3,27,32,24,14,12,17,22,10,9,21,18,23,11/E:(2,3)(5,6)(9,10)/rA:33cCCCCCCCCNCOCCCCCCNCCNCOCCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s2;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s18;s14;s21;d22;s22;s24;d25;s26;s27;d28;s29;d30;d27s31;d24s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H27N3O2 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1171 |
Area: | 695.528 |
Solvation: | -4.27108 |
Coulombic: | -51.7501 |
Bond Count [?]
All: | 36 |
Single: | 23 |
Double: | 13 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 437.533 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.11 |
LogP (Chemaxon): | 5.46 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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