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Chemical ID: 6876285
Chemical ID:
6876285
Name [?]:
4-[1-(aminocarbamoyl)ethoxy]-N-(3-chloro-4-methoxy-phenyl)-benzamide
SMILES [?]:
CC(C(=O)NN)Oc1ccc(cc1)C(=O)Nc2ccc(c(c2)Cl)OC
InChi [?]:
InChI=1/C17H18ClN3O4/c1-10(16(22)21-19)25-13-6-3-11(4-7-13)17(23)20-12-5-8-15(24-2)14(18)9-12/h3-10H,19H2,1-2H3,(H,20,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,10,12,18,9,13,19,22,2,11,17,8,21,20,3,14,23,6,16,5,4,15,24,7/E:(3,4)(6,7)/rA:25cCCCONNOCCCCCCCONCCCCCCClOC/rB:s1;s2;d3;s3;s5;s2;s7;s8;d9;s10;d11;d8s12;s11;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s20;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN3O4 |
All Atoms: | 43 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.65454 |
Area: | 583.026 |
Solvation: | -6.9211 |
Coulombic: | -63.1526 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 363.795 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | 2.14 |
LogP (Chemaxon): | 2.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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