3-Amino-4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)pyridine

HCID 21875620

기본 정보

표준 SMILES
Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(Nc3nc(C)cc(C)c3N)cc2)cc1
InChIKey
CUHNYRQYEXXTGB-UHFFFAOYSA-N
분자식
C23H27N5O3S
평균 분자량
453.6 g/mol

이름 및 식별자

우선 이름
3-Amino-4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)pyridine
IUPAC
1-[2-[4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

이름 및 동의어

SCHEMBL1625399CUHNYRQYEXXTGB-UHFFFAOYSA-N3-amino-4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino }carbonyl)amino]ethyl }anilino)pyridine3-Amino-4,6-dimethyl-2-(4-{2-[({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}anilino)pyridineN-{[(2-{4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl}ethyl)amino]carbonyl}-4-methylbenzenesulfonamideN-{[(2-{4-[(3-amino-4,6-dimethyl-2-pyridinyl)amino]phenyl}ethyl)amino]carbonyl}4-methylbenzenesulfonamide

데이터베이스 식별자

PubChem CID
21875620

물성

구조 계산 물성

XLogP
3.7
극성 표면적
135 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
32

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