Chemical ID: 6003267

CCC(c1ccccc1)C(=O)N(CCN(C)C)CC(=O)Nc2nc(cs2)C
Chemical ID:
6003267
Name [?]:
N-(2-dimethylaminoethyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]-2-phenyl-butanamide
SMILES [?]:
CCC(c1ccccc1)C(=O)N(CCN(C)C)CC(=O)Nc2nc(cs2)C
InChi [?]:
InChI=1/C20H28N4O2S/c1-5-17(16-9-7-6-8-10-16)19(26)24(12-11-23(3)4)13-18(25)22-20-21-15(2)14-27-20/h6-10,14,17H,5,11-13H2,1-4H3,(H,21,22,25)
InChi Info:
AuxInfo=1/1/N:1,27,16,17,2,7,6,8,5,9,14,13,18,25,24,4,3,19,10,22,23,21,15,12,20,11,26/E:(3,4)(7,8)(9,10)/rA:27cCCCCCCCCCCONCCNCCCCONCNCCSC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;s14;s15;s15;s12;s18;d19;s19;s21;d22;s23;d24;s22s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H28N4O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.1187
Area:622.532
Solvation:-4.44459
Coulombic:-47.7474
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:388.528
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.88
LogP (Chemaxon):2.49

Name Annotations

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Descriptor Annotations

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