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Chemical ID: 6005076
Chemical ID:
6005076
Name [?]:
N-(4-diethylamino-1-methyl-butyl)-2-methoxy-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCN(CC)CCCC(C)N(CC(=O)Nc1cc(on1)C)C(=O)c2ccccc2OC
InChi [?]:
InChI=1/C23H34N4O4/c1-6-26(7-2)14-10-11-17(3)27(16-22(28)24-21-15-18(4)31-25-21)23(29)19-12-8-9-13-20(19)30-5/h8-9,12-13,15,17H,6-7,10-11,14,16H2,1-5H3,(H,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,5,10,21,31,2,4,26,27,7,8,25,28,6,17,12,9,18,24,29,16,13,22,15,20,3,11,14,23,30,19/E:(1,2)(6,7)/rA:31cCCNCCCCCCCNCCONCCCONCCOCCCCCCOC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s9;s11;s12;d13;s13;s15;s16;d17;s18;d16s19;s18;s11;d22;s22;s24;d25;s26;d27;d24s28;s29;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H34N4O4 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.5506 |
Area: | 674.912 |
Solvation: | -6.32223 |
Coulombic: | -53.1689 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 430.541 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.12 |
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.
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