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Chemical ID: 6007092
Chemical ID:
6007092
Name [?]:
2,4-dichloro-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-(2-morpholinoethyl)benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN2CCOCC2)C(=O)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H22Cl2N4O3S/c1-13-12-29-19(22-13)23-17(26)11-25(5-4-24-6-8-28-9-7-24)18(27)15-3-2-14(20)10-16(15)21/h2-3,10,12H,4-9,11H2,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,24,23,13,12,15,19,16,18,26,10,3,2,25,22,27,8,20,5,29,28,6,7,14,11,9,21,17,4/E:(6,7)(8,9)/rA:29nCCCSCNNCOCNCCNCCOCCCOCCCCCCClCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H22Cl2N4O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1429 |
Area: | 666.609 |
Solvation: | -5.52233 |
Coulombic: | -55.7453 |
Bond Count [?]
All: | 31 |
Single: | 24 |
Double: | 7 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 457.375 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.13 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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