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Chemical ID: 6009409
Chemical ID:
6009409
Name [?]:
N-(3-dimethylaminopropyl)-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-3,3-dimethyl-butanamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCN(C)C)C(=O)CC(C)(C)C)C
InChi [?]:
InChI=1/C18H32N4O2S/c1-13-14(2)25-17(19-13)20-15(23)12-22(10-8-9-21(6)7)16(24)11-18(3,4)5/h8-12H2,1-7H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,22,23,24,16,17,13,14,12,20,10,2,3,8,18,5,21,6,7,15,11,9,19,4/E:(3,4,5)(6,7)/rA:25nCCCSCNNCOCNCCCNCCCOCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s15;s11;d18;s18;s20;s21;s21;s21;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H32N4O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9378 |
Area: | 623.375 |
Solvation: | -4.64658 |
Coulombic: | -44.8858 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 368.538 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.3 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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