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Chemical ID: 6030445
Chemical ID:
6030445
Name [?]:
2,4-dichloro-N-[[4-(dipropylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide
SMILES [?]:
CCCN(CCC)C(=O)Cc1csc(n1)NC(=O)CN(C(C)C)C(=O)c2ccc(cc2Cl)Cl
InChi [?]:
InChI=1/C23H30Cl2N4O3S/c1-5-9-28(10-6-2)21(31)12-17-14-33-23(26-17)27-20(30)13-29(15(3)4)22(32)18-8-7-16(24)11-19(18)25/h7-8,11,14-15H,5-6,9-10,12-13H2,1-4H3,(H,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,7,22,23,2,6,28,27,3,5,30,10,19,12,21,29,11,26,31,17,8,24,14,33,32,15,16,4,20,18,9,25,13/E:(1,2)(3,4)(5,6)(9,10)/rA:33nCCCNCCCCOCCCSCNNCOCNCCCCOCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;d11;s12;s13;s11d14;s14;s16;d17;s17;s19;s20;s21;s21;s20;d24;s24;s26;d27;s28;d29;d26s30;s31;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H30Cl2N4O3S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.8977 |
Area: | 745.139 |
Solvation: | -5.73081 |
Coulombic: | -57.7448 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 513.481 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.25 |
LogP (Chemaxon): | 4.6 |
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
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