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Chemical ID: 6007493
Chemical ID:
6007493
Name [?]:
4-hexyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-benzamide
SMILES [?]:
CCCCCCc1ccc(cc1)C(=O)N(CCCCC)CC(=O)Nc2ncc(s2)C
InChi [?]:
InChI=1/C24H35N3O2S/c1-4-6-8-9-11-20-12-14-21(15-13-20)23(29)27(16-10-7-5-2)18-22(28)26-24-25-17-19(3)30-24/h12-15,17H,4-11,16,18H2,1-3H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,20,30,2,19,3,18,4,5,17,6,8,12,9,11,16,27,21,28,7,10,22,13,25,26,24,15,23,14,29/E:(12,13)(14,15)/rA:30nCCCCCCCCCCCCCONCCCCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;d13;s13;s15;s16;s17;s18;s19;s15;s21;d22;s22;s24;d25;s26;d27;s25s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H35N3O2S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3827 |
Area: | 736.536 |
Solvation: | -4.03069 |
Coulombic: | -45.2154 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 15 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 429.62 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.83 |
LogP (Chemaxon): | 5.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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