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Chemical ID: 5917815
Chemical ID:
5917815
Name [?]:
N-benzyl-2-(ethylcarbamoyl-(2-morpholinoethyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCNC(=O)N(CCN1CCOCC1)CC(=O)N(Cc2ccccc2)Cc3cccs3
InChi [?]:
InChI=1/C23H32N4O3S/c1-2-24-23(29)26(11-10-25-12-14-30-15-13-25)19-22(28)27(18-21-9-6-16-31-21)17-20-7-4-3-5-8-20/h3-9,16H,2,10-15,17-19H2,1H3,(H,24,29)
InChi Info:
AuxInfo=1/1/N:1,2,23,22,24,29,21,25,28,8,7,10,14,11,13,30,19,26,15,20,27,16,4,3,9,6,18,17,5,12,31/E:(4,5)(7,8)(12,13)(14,15)/rA:31nCCNCONCCNCCOCCCCONCCCCCCCCCCCCS/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;s10;s11;s12;s9s13;s6;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s18;s26;d27;s28;d29;s27s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N4O3S |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5602 |
Area: | 673.98 |
Solvation: | -5.28933 |
Coulombic: | -61.6223 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 444.591 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.16 |
LogP (Chemaxon): | 1.55 |
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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