Chemical ID: 6030618

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCN2CCCC2)C(=O)c3ccc(c(c3)Cl)Cl
Chemical ID:
6030618
Name [?]:
3,4-dichloro-N-isopropyl-N-[[4-(2-pyrrolidin-1-ylethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCN2CCCC2)C(=O)c3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C23H29Cl2N5O3S/c1-15(2)30(22(33)16-5-6-18(24)19(25)11-16)13-21(32)28-23-27-17(14-34-23)12-20(31)26-7-10-29-8-3-4-9-29/h5-6,11,14-15H,3-4,7-10,12-13H2,1-2H3,(H,26,31)(H,27,28,32)
InChi Info:
AuxInfo=1/1/N:1,3,22,23,28,29,18,21,24,19,32,14,5,12,2,27,11,30,31,15,6,25,9,34,33,17,10,8,20,4,16,7,26,13/E:(1,2)(3,4)(8,9)/rA:34nCCCNCCONCNCCSCCONCCNCCCCCOCCCCCCClCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;s21;s22;s20s23;s4;d25;s25;s27;d28;s29;d30;d27s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H29Cl2N5O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.1541
Area:758.374
Solvation:-5.80527
Coulombic:-67.2217
Bond Count [?]
All:36
Single:28
Double:8
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:526.48
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.91
LogP (Chemaxon):2.74

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Descriptor Annotations

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