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Chemical ID: 6032958
Chemical ID:
6032958
Name [?]:
4-methoxy-N-(2-methoxyethyl)-N-[[4-(pentylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCCCNC(=O)Cc1csc(n1)NC(=O)CN(CCOC)C(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C23H32N4O5S/c1-4-5-6-11-24-20(28)14-18-16-33-23(25-18)26-21(29)15-27(12-13-31-2)22(30)17-7-9-19(32-3)10-8-17/h7-10,16H,4-6,11-15H2,1-3H3,(H,24,28)(H,25,26,29)
InChi Info:
AuxInfo=1/1/N:1,23,33,2,3,4,27,31,28,30,5,20,21,9,18,11,26,10,29,7,16,24,13,6,14,15,19,8,17,25,22,32,12/E:(7,8)(9,10)/rA:33nCCCCCNCOCCCSCNNCOCNCCOCCOCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H32N4O5S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.90097 |
Area: | 758.298 |
Solvation: | -9.05649 |
Coulombic: | -75.535 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 17 |
Chiral: | 0 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 476.59 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 8 |
XLogP: | 2.06 |
LogP (Chemaxon): | 2.13 |
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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