Chemical ID: 7074094

CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)N(C)C
Chemical ID:
7074094
Name [?]:
N-[(4-dimethylaminophenyl)methyleneamino]-4-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-thiazol-2-amine
SMILES [?]:
CC1CN(CC(O1)C)S(=O)(=O)c2cccc(c2)c3csc(n3)NN=Cc4ccc(cc4)N(C)C
InChi [?]:
InChI=1/C24H29N5O3S2/c1-17-14-29(15-18(2)32-17)34(30,31)22-7-5-6-20(12-22)23-16-33-24(26-23)27-25-13-19-8-10-21(11-9-19)28(3)4/h5-13,16-18H,14-15H2,1-4H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,8,33,34,14,15,13,27,31,28,30,17,25,3,5,19,2,6,26,16,29,12,18,21,24,22,23,32,4,10,11,7,20,9/E:(1,2)(3,4)(8,9)(10,11)(14,15)(17,18)(30,31)/CRV:34.6/rA:34cCCCNCCOCSOOCCCCCCCCSCNNNCCCCCCCNCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s16;d18;s19;s20;s18d21;s21;s23;w24;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N5O3S2
All Atoms:63
Heavy Atoms:34
Chiral Atoms:2
ZAP Information [?]
Total:13.7226
Area:758.417
Solvation:-5.23782
Coulombic:-38.5447
Bond Count [?]
All:37
Single:26
Double:11
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:499.651
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.99
LogP (Chemaxon):5.02

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Descriptor Annotations

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