Chemical ID: 6009409

Cc1c(sc(n1)NC(=O)CN(CCCN(C)C)C(=O)CC(C)(C)C)C
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

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Descriptor Annotations

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